5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide

C18H17N5O2S — CID 90734084

IUPAC5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)N=C(C)C(C#N)C1c1scnc1-c1ccccc1
InChIInChI=1S/C18H17N5O2S/c1-3-20-17(24)23-15(13(9-19)11(2)22-18(23)25)16-14(21-10-26-16)12-7-5-4-6-8-12/h4-8,10,13,15H,3H2,1-2H3,(H,20,24)
InChIKeyMQYVJIWHLDHAIR-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.62
Rot. Bonds3

About 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide

5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide (PubChem CID 90734084) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide
PubChem CID90734084
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)N=C(C)C(C#N)C1c1scnc1-c1ccccc1
InChIInChI=1S/C18H17N5O2S/c1-3-20-17(24)23-15(13(9-19)11(2)22-18(23)25)16-14(21-10-26-16)12-7-5-4-6-8-12/h4-8,10,13,15H,3H2,1-2H3,(H,20,24)
InChIKeyMQYVJIWHLDHAIR-UHFFFAOYSA-N
XLogP3.62
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide?
The IUPAC name of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide (CID 90734084) is 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide is CCNC(=O)N1C(=O)N=C(C)C(C#N)C1c1scnc1-c1ccccc1.
What is the InChIKey of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide?
The InChIKey is MQYVJIWHLDHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-3-20-17(24)23-15(13(9-19)11(2)22-18(23)25)16-14(21-10-26-16)12-7-5-4-6-8-12/h4-8,10,13,15H,3H2,1-2H3,(H,20,24).
What are the key properties of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide?
5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenyl-1,3-thiazol-5-yl)-4,5-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 90734084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).