(4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide

C17H16ClFN4OS — CID 23726011

IUPAC(4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCCNC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN4OS/c1-3-20-16(24)13-9(2)22-15(17-21-6-7-25-17)23-14(13)11-5-4-10(19)8-12(11)18/h4-8,14H,3H2,1-2H3,(H,20,24)(H,22,23)/t14-/m0/s1
InChIKeyIJCDAGUZKYFWHO-AWEZNQCLSA-N
MW378.86 g/mol
LogP3.44
Rot. Bonds4

About (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide

(4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 23726011) has the molecular formula C17H16ClFN4OS and a molecular weight of 378.86 g/mol. Its IUPAC name is (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
PubChem CID23726011
Molecular FormulaC17H16ClFN4OS
Molecular Weight378.86 g/mol
Exact Mass378.07
IUPAC Name(4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCCNC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN4OS/c1-3-20-16(24)13-9(2)22-15(17-21-6-7-25-17)23-14(13)11-5-4-10(19)8-12(11)18/h4-8,14H,3H2,1-2H3,(H,20,24)(H,22,23)/t14-/m0/s1
InChIKeyIJCDAGUZKYFWHO-AWEZNQCLSA-N
XLogP3.44
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-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 (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide (CID 23726011) is (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide is CCNC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl.
What is the InChIKey of (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is IJCDAGUZKYFWHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16ClFN4OS/c1-3-20-16(24)13-9(2)22-15(17-21-6-7-25-17)23-14(13)11-5-4-10(19)8-12(11)18/h4-8,14H,3H2,1-2H3,(H,20,24)(H,22,23)/t14-/m0/s1.
What are the key properties of (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
(4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chloro-4-fluorophenyl)-N-ethyl-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 23726011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).