N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide

C19H18F3N5O3S — CID 67430278

IUPACN-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)NC(CO)CO)s2)c1
InChIInChI=1S/C19H18F3N5O3S/c1-10-4-11(14-7-24-17(31-14)16(30)25-13(8-28)9-29)6-12(5-10)26-18-23-3-2-15(27-18)19(20,21)22/h2-7,13,28-29H,8-9H2,1H3,(H,25,30)(H,23,26,27)
InChIKeyZJZGEASQSYBUNM-UHFFFAOYSA-N
MW453.45 g/mol
LogP2.75
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide

N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 67430278) has the molecular formula C19H18F3N5O3S and a molecular weight of 453.45 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID67430278
Molecular FormulaC19H18F3N5O3S
Molecular Weight453.45 g/mol
Exact Mass453.11
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)NC(CO)CO)s2)c1
InChIInChI=1S/C19H18F3N5O3S/c1-10-4-11(14-7-24-17(31-14)16(30)25-13(8-28)9-29)6-12(5-10)26-18-23-3-2-15(27-18)19(20,21)22/h2-7,13,28-29H,8-9H2,1H3,(H,25,30)(H,23,26,27)
InChIKeyZJZGEASQSYBUNM-UHFFFAOYSA-N
XLogP2.75
TPSA120.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide (CID 67430278) is N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)NC(CO)CO)s2)c1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ZJZGEASQSYBUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3S/c1-10-4-11(14-7-24-17(31-14)16(30)25-13(8-28)9-29)6-12(5-10)26-18-23-3-2-15(27-18)19(20,21)22/h2-7,13,28-29H,8-9H2,1H3,(H,25,30)(H,23,26,27).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67430278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).