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

C9H13N3OS — CID 53015898

IUPACN-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C9H13N3OS/c1-10-8(13)7-6-14-9(11-7)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,10,13)
InChIKeyNLYYCNXIQQODAO-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.10
Rot. Bonds2

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

N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 53015898) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID53015898
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C9H13N3OS/c1-10-8(13)7-6-14-9(11-7)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,10,13)
InChIKeyNLYYCNXIQQODAO-UHFFFAOYSA-N
XLogP1.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 53015898) is N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(N2CCCC2)n1.
What is the InChIKey of N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NLYYCNXIQQODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-10-8(13)7-6-14-9(11-7)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,10,13).
What are the key properties of N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53015898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).