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

C17H17N3O2S — CID 17248373

IUPAC2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n2c1C
InChIInChI=1S/C17H17N3O2S/c1-10(13-7-5-4-6-8-13)19-15(21)14-9-18-17-20(16(14)22)11(2)12(3)23-17/h4-10H,1-3H3,(H,19,21)
InChIKeyPWEMTCDFUJEKTK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.86
Rot. Bonds3

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

2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248373) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248373
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n2c1C
InChIInChI=1S/C17H17N3O2S/c1-10(13-7-5-4-6-8-13)19-15(21)14-9-18-17-20(16(14)22)11(2)12(3)23-17/h4-10H,1-3H3,(H,19,21)
InChIKeyPWEMTCDFUJEKTK-UHFFFAOYSA-N
XLogP2.86
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248373) is 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PWEMTCDFUJEKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10(13-7-5-4-6-8-13)19-15(21)14-9-18-17-20(16(14)22)11(2)12(3)23-17/h4-10H,1-3H3,(H,19,21).
What are the key properties of 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).