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

C17H19N3O2S — CID 18097964

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-12-4-6-13(7-5-12)11-19(2)15(21)14-10-18-17-20(16(14)22)8-9-23-17/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyLPCVCEKTXNSFQN-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.18
Rot. Bonds4

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

N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 18097964) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID18097964
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-12-4-6-13(7-5-12)11-19(2)15(21)14-10-18-17-20(16(14)22)8-9-23-17/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyLPCVCEKTXNSFQN-UHFFFAOYSA-N
XLogP2.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 18097964) is N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1ccc(CN(C)C(=O)c2cnc3n(c2=O)CCS3)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LPCVCEKTXNSFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-12-4-6-13(7-5-12)11-19(2)15(21)14-10-18-17-20(16(14)22)8-9-23-17/h4-7,10H,3,8-9,11H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 18097964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).