6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide

C19H16F3N5O2S — CID 159828006

IUPAC6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide
SMILESCC(CC(=O)c1cc(C(N)=O)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C19H16F3N5O2S/c1-10(6-15(28)13-7-14(17(23)29)26-9-25-13)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22/h2-5,7-10H,6H2,1H3,(H2,23,29)(H,24,27)
InChIKeyNNCCAXLBPGGUBI-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.17
Rot. Bonds7

About 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide

6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide (PubChem CID 159828006) has the molecular formula C19H16F3N5O2S and a molecular weight of 435.43 g/mol. Its IUPAC name is 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide
PubChem CID159828006
Molecular FormulaC19H16F3N5O2S
Molecular Weight435.43 g/mol
Exact Mass435.10
IUPAC Name6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide
SMILESCC(CC(=O)c1cc(C(N)=O)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C19H16F3N5O2S/c1-10(6-15(28)13-7-14(17(23)29)26-9-25-13)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22/h2-5,7-10H,6H2,1H3,(H2,23,29)(H,24,27)
InChIKeyNNCCAXLBPGGUBI-UHFFFAOYSA-N
XLogP4.17
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-pyridin-3-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 158574460
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 152997764
1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 157102571
(3S)-1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 149134513
N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 46842332
1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 90959471
1-(2-methylsulfonylethyl)-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 88575129
butyl 1-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 2-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate;2-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid;1-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 158525920
1-(1-acetylazetidin-3-yl)-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 88575163
5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 91324659
6-amino-5-chloro-N-[1-[2-[4-[(E)-1,1-difluorobut-2-enyl]anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide
CID 129090910
7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one
CID 166517293

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide (CID 159828006) is 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide is CC(CC(=O)c1cc(C(N)=O)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
The InChIKey is NNCCAXLBPGGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2S/c1-10(6-15(28)13-7-14(17(23)29)26-9-25-13)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22/h2-5,7-10H,6H2,1H3,(H2,23,29)(H,24,27).
What are the key properties of 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 159828006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).