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

C14H18N4O2S — CID 46363972

IUPAC3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN3CCCC3)c(=O)n12
InChIInChI=1S/C14H18N4O2S/c1-10-9-21-14-16-8-11(13(20)18(10)14)12(19)15-4-7-17-5-2-3-6-17/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyWZHTUQNZQQSZIC-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.89
Rot. Bonds4

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

3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363972) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363972
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN3CCCC3)c(=O)n12
InChIInChI=1S/C14H18N4O2S/c1-10-9-21-14-16-8-11(13(20)18(10)14)12(19)15-4-7-17-5-2-3-6-17/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyWZHTUQNZQQSZIC-UHFFFAOYSA-N
XLogP0.89
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363972) is 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCN3CCCC3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WZHTUQNZQQSZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-9-21-14-16-8-11(13(20)18(10)14)12(19)15-4-7-17-5-2-3-6-17/h8-9H,2-7H2,1H3,(H,15,19).
What are the key properties of 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).