4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide

C13H16N4OS — CID 119450224

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)NC3CCNC3)c2)cs1
InChIInChI=1S/C13H16N4OS/c1-8-16-12(7-19-8)9-4-11(15-5-9)13(18)17-10-2-3-14-6-10/h4-5,7,10,14-15H,2-3,6H2,1H3,(H,17,18)
InChIKeyQSWQLYLMRKCMRB-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.54
Rot. Bonds3

About 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide

4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 119450224) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
PubChem CID119450224
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)NC3CCNC3)c2)cs1
InChIInChI=1S/C13H16N4OS/c1-8-16-12(7-19-8)9-4-11(15-5-9)13(18)17-10-2-3-14-6-10/h4-5,7,10,14-15H,2-3,6H2,1H3,(H,17,18)
InChIKeyQSWQLYLMRKCMRB-UHFFFAOYSA-N
XLogP1.54
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 119470551
N-[2-(aminomethyl)cyclohexyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 119609704
N-[2-(aminomethyl)cyclohexyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 119609703
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 120657233
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 95306572
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 94173368
N-(3-aminopropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 119405470
N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 119626504
N'-benzoyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbohydrazide
CID 35513092
3-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]butanoic acid
CID 16779909
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 35815183
N-[(2S)-1-aminopropan-2-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 120506653

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide (CID 119450224) is 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide is Cc1nc(-c2c[nH]c(C(=O)NC3CCNC3)c2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is QSWQLYLMRKCMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-16-12(7-19-8)9-4-11(15-5-9)13(18)17-10-2-3-14-6-10/h4-5,7,10,14-15H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119450224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).