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

C8H11N3OS — CID 131092459

IUPAC2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C8H11N3OS/c9-7(12)6-5-13-8(10-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,12)
InChIKeyNEUHOILBFAKOGG-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.84
Rot. Bonds2

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

2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 131092459) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID131092459
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C8H11N3OS/c9-7(12)6-5-13-8(10-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,12)
InChIKeyNEUHOILBFAKOGG-UHFFFAOYSA-N
XLogP0.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
2-(azepan-1-yl)-1,3-thiazole-4-carbothioamide
CID 82514827
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
S-[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] ethanethioate
CID 22242732
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95557966
2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70763911
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 50952783
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 133130632
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide
CID 133136164
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 70718281

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 131092459) is 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NEUHOILBFAKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-7(12)6-5-13-8(10-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,12).
What are the key properties of 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131092459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).