4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C9H14N4OS — CID 50743530

IUPAC4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C9H14N4OS/c1-11-8(14)6-7(10)12-9(15-6)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,14)
InChIKeyLOBQIADUSXRKNY-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.69
Rot. Bonds2

About 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 50743530) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID50743530
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C9H14N4OS/c1-11-8(14)6-7(10)12-9(15-6)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,14)
InChIKeyLOBQIADUSXRKNY-UHFFFAOYSA-N
XLogP0.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 50743530) is 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LOBQIADUSXRKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-11-8(14)6-7(10)12-9(15-6)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,14).
What are the key properties of 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50743530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).