N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

C10H15N3OS — CID 53015896

IUPACN-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C10H15N3OS/c1-2-11-9(14)8-7-15-10(12-8)13-5-3-4-6-13/h7H,2-6H2,1H3,(H,11,14)
InChIKeySGKGAWCHJVJUEY-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.49
Rot. Bonds3

About N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 53015896) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID53015896
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C10H15N3OS/c1-2-11-9(14)8-7-15-10(12-8)13-5-3-4-6-13/h7H,2-6H2,1H3,(H,11,14)
InChIKeySGKGAWCHJVJUEY-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 53015896) is N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SGKGAWCHJVJUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-11-9(14)8-7-15-10(12-8)13-5-3-4-6-13/h7H,2-6H2,1H3,(H,11,14).
What are the key properties of N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53015896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).