N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H12ClN3O2S — CID 4067113

IUPACN-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12
InChIInChI=1S/C15H12ClN3O2S/c1-9-8-22-15-18-7-11(14(21)19(9)15)13(20)17-6-10-4-2-3-5-12(10)16/h2-5,7-8H,6H2,1H3,(H,17,20)
InChIKeyCLBNIMBTCCNZAI-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.65
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4067113) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4067113
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12
InChIInChI=1S/C15H12ClN3O2S/c1-9-8-22-15-18-7-11(14(21)19(9)15)13(20)17-6-10-4-2-3-5-12(10)16/h2-5,7-8H,6H2,1H3,(H,17,20)
InChIKeyCLBNIMBTCCNZAI-UHFFFAOYSA-N
XLogP2.65
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4067113) is N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CLBNIMBTCCNZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-9-8-22-15-18-7-11(14(21)19(9)15)13(20)17-6-10-4-2-3-5-12(10)16/h2-5,7-8H,6H2,1H3,(H,17,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4067113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).