2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C17H15ClN4O2S — CID 108809636

IUPAC2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cs1
InChIInChI=1S/C17H15ClN4O2S/c1-9(14-8-25-10(2)21-14)20-16(23)13-7-19-15(22-17(13)24)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,23)(H,19,22,24)
InChIKeyWFHSNGJYDHBPDH-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108809636) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108809636
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cs1
InChIInChI=1S/C17H15ClN4O2S/c1-9(14-8-25-10(2)21-14)20-16(23)13-7-19-15(22-17(13)24)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,23)(H,19,22,24)
InChIKeyWFHSNGJYDHBPDH-UHFFFAOYSA-N
XLogP3.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 108809636) is 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cs1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WFHSNGJYDHBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-9(14-8-25-10(2)21-14)20-16(23)13-7-19-15(22-17(13)24)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,23)(H,19,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108809636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).