4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C30H21BrF6N8S2 — CID 159742304

IUPAC4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cn1.Nc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2Br)cn1
InChIInChI=1S/C15H10BrF3N4S.C15H11F3N4S/c16-13-12(8-4-5-11(20)21-7-8)23-14(24-13)22-10-3-1-2-9(6-10)15(17,18)19;16-15(17,18)10-2-1-3-11(6-10)21-14-22-12(8-23-14)9-4-5-13(19)20-7-9/h1-7H,(H2,20,21)(H,22,23);1-8H,(H2,19,20)(H,21,22)
InChIKeyNCPPUWGQKIAWBO-UHFFFAOYSA-N
MW751.58 g/mol
LogP9.86
Rot. Bonds6

About 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 159742304) has the molecular formula C30H21BrF6N8S2 and a molecular weight of 751.58 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID159742304
Molecular FormulaC30H21BrF6N8S2
Molecular Weight751.58 g/mol
Exact Mass750.04
IUPAC Name4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cn1.Nc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2Br)cn1
InChIInChI=1S/C15H10BrF3N4S.C15H11F3N4S/c16-13-12(8-4-5-11(20)21-7-8)23-14(24-13)22-10-3-1-2-9(6-10)15(17,18)19;16-15(17,18)10-2-1-3-11(6-10)21-14-22-12(8-23-14)9-4-5-13(19)20-7-9/h1-7H,(H2,20,21)(H,22,23);1-8H,(H2,19,20)(H,21,22)
InChIKeyNCPPUWGQKIAWBO-UHFFFAOYSA-N
XLogP9.86
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.58
LogP ≤ 59.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44533896
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 972969
4-(2-Bromo-4-pyridinyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 44226049
4-(3-Bromo-4-pyridinyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 44226262
N-(3-Methylphenyl)-5-(1-piperidinylmethyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 44225116
N-(3-Methylphenyl)-4-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-1,3-thiazol-2-amine
CID 56666787
N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214685
N-(3-methylphenyl)-4-(3-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
CID 56659151
4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 56662654
N-(3-methylphenyl)-4-[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1,3-thiazol-2-amine
CID 56676343
N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
CID 56676345
4-[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 139227750

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 159742304) is 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cn1.Nc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2Br)cn1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is NCPPUWGQKIAWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N4S.C15H11F3N4S/c16-13-12(8-4-5-11(20)21-7-8)23-14(24-13)22-10-3-1-2-9(6-10)15(17,18)19;16-15(17,18)10-2-1-3-11(6-10)21-14-22-12(8-23-14)9-4-5-13(19)20-7-9/h1-7H,(H2,20,21)(H,22,23);1-8H,(H2,19,20)(H,21,22).
What are the key properties of 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 751.58 g/mol, XLogP of 9.86, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 159742304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).