N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C19H16F4N6S — CID 155517286

IUPACN-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(F)(F)F)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1
InChIInChI=1S/C19H16F4N6S/c1-3-29-17(7-16(27-29)19(21,22)23)26-18-25-14(9-30-18)12-4-5-15(13(20)6-12)28-8-11(2)24-10-28/h4-10H,3H2,1-2H3,(H,25,26)
InChIKeyJYVPKNQECOIZTQ-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.42
Rot. Bonds5

About N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 155517286) has the molecular formula C19H16F4N6S and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID155517286
Molecular FormulaC19H16F4N6S
Molecular Weight436.44 g/mol
Exact Mass436.11
IUPAC NameN-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(F)(F)F)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1
InChIInChI=1S/C19H16F4N6S/c1-3-29-17(7-16(27-29)19(21,22)23)26-18-25-14(9-30-18)12-4-5-15(13(20)6-12)28-8-11(2)24-10-28/h4-10H,3H2,1-2H3,(H,25,26)
InChIKeyJYVPKNQECOIZTQ-UHFFFAOYSA-N
XLogP5.42
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Thiazole derivative 4
CID 73891136
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
1-N,1-N-diethyl-4-methyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910631
Antitumor agent-3
CID 73427118
N-(3-tert-butyl-1-propylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875492
N-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875808
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875879
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657800
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657803

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 155517286) is N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is CCn1nc(C(F)(F)F)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1.
What is the InChIKey of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is JYVPKNQECOIZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N6S/c1-3-29-17(7-16(27-29)19(21,22)23)26-18-25-14(9-30-18)12-4-5-15(13(20)6-12)28-8-11(2)24-10-28/h4-10H,3H2,1-2H3,(H,25,26).
What are the key properties of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 436.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155517286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).