5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

C38H28BBrClF13N12O4S3 — CID 159206467

IUPAC5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1ncc(Br)s1.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C15H9F5N4OS.C8H7F3N4S.C7H3ClF2O.C5H6BF3N2O2.C3H3BrN2S/c1-24-9(5-11(23-24)15(18,19)20)10-6-21-14(26-10)22-13(25)12-7(16)3-2-4-8(12)17;1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11;8-7(11)6-4(9)2-1-3-5(6)10;1-11-4(6(12)13)2-3(10-11)5(7,8)9;4-2-1-6-3(5)7-2/h2-6H,1H3,(H,21,22,25);2-3H,1H3,(H2,12,13);1-3H;2,12-13H,1H3;1H,(H2,5,6)
InChIKeyKPYIGNMHIUOVHP-UHFFFAOYSA-N
MW1186.07 g/mol
LogP9.19
Rot. Bonds6

About 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 159206467) has the molecular formula C38H28BBrClF13N12O4S3 and a molecular weight of 1186.07 g/mol. Its IUPAC name is 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
PubChem CID159206467
Molecular FormulaC38H28BBrClF13N12O4S3
Molecular Weight1186.07 g/mol
Exact Mass1184.03
IUPAC Name5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1ncc(Br)s1.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C15H9F5N4OS.C8H7F3N4S.C7H3ClF2O.C5H6BF3N2O2.C3H3BrN2S/c1-24-9(5-11(23-24)15(18,19)20)10-6-21-14(26-10)22-13(25)12-7(16)3-2-4-8(12)17;1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11;8-7(11)6-4(9)2-1-3-5(6)10;1-11-4(6(12)13)2-3(10-11)5(7,8)9;4-2-1-6-3(5)7-2/h2-6H,1H3,(H,21,22,25);2-3H,1H3,(H2,12,13);1-3H;2,12-13H,1H3;1H,(H2,5,6)
InChIKeyKPYIGNMHIUOVHP-UHFFFAOYSA-N
XLogP9.19
TPSA230.80 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.07
LogP ≤ 59.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
CID 157172141
5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 157263661
CID 157872239
CID 157872239
2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;bis(5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine)
CID 158837369
4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 158919361
N-(5-bromo-1,3-thiazol-2-yl)-2-chlorobenzamide;2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 158971588
N-(5-bromo-1,3-thiazol-2-yl)-2-methylbenzamide;3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 159375821
2-bromo-1,3-thiazole;4-bromo-5-(trifluoromethyl)-1H-pyrazole;2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;bis(3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]aniline)
CID 159602994
N-(5-bromo-1,3-thiazol-2-yl)-2-methylbenzamide;2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 159946114
N-(5-bromo-1,3-thiazol-2-yl)-2-chlorobenzamide;2-chloro-N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 160263503
N-(5-bromo-1,3-thiazol-2-yl)-2-chlorobenzamide;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 160420399
2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;bis(2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide);bis(2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide);4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 161720914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (CID 159206467) is 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is Cn1nc(C(F)(F)F)cc1-c1cnc(N)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1ncc(Br)s1.O=C(Cl)c1c(F)cccc1F.
What is the InChIKey of 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is KPYIGNMHIUOVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N4OS.C8H7F3N4S.C7H3ClF2O.C5H6BF3N2O2.C3H3BrN2S/c1-24-9(5-11(23-24)15(18,19)20)10-6-21-14(26-10)22-13(25)12-7(16)3-2-4-8(12)17;1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11;8-7(11)6-4(9)2-1-3-5(6)10;1-11-4(6(12)13)2-3(10-11)5(7,8)9;4-2-1-6-3(5)7-2/h2-6H,1H3,(H,21,22,25);2-3H,1H3,(H2,12,13);1-3H;2,12-13H,1H3;1H,(H2,5,6).
What are the key properties of 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 1186.07 g/mol, XLogP of 9.19, 6 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazol-2-amine;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 159206467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).