N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H15N3O2S — CID 4097615

IUPACN-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-2-4-11(5-3-10)8-16-13(19)12-9-17-15-18(14(12)20)6-7-21-15/h2-5,9H,6-8H2,1H3,(H,16,19)
InChIKeyJRWDOSHHRQWFLG-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.59
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4097615) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4097615
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-2-4-11(5-3-10)8-16-13(19)12-9-17-15-18(14(12)20)6-7-21-15/h2-5,9H,6-8H2,1H3,(H,16,19)
InChIKeyJRWDOSHHRQWFLG-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4097615) is N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JRWDOSHHRQWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-2-4-11(5-3-10)8-16-13(19)12-9-17-15-18(14(12)20)6-7-21-15/h2-5,9H,6-8H2,1H3,(H,16,19).
What are the key properties of N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4097615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).