2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 77078791

IUPAC2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCCC2)c(C)s1
InChIInChI=1S/C12H19N3OS/c1-9-11(14-10(2)17-9)12(16)13-5-8-15-6-3-4-7-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyJOPZRHJVKGTQNN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.59
Rot. Bonds4

About 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 77078791) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID77078791
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCCC2)c(C)s1
InChIInChI=1S/C12H19N3OS/c1-9-11(14-10(2)17-9)12(16)13-5-8-15-6-3-4-7-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyJOPZRHJVKGTQNN-UHFFFAOYSA-N
XLogP1.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (CID 77078791) is 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCN2CCCC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JOPZRHJVKGTQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-11(14-10(2)17-9)12(16)13-5-8-15-6-3-4-7-15/h3-8H2,1-2H3,(H,13,16).
What are the key properties of 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77078791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).