N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

C13H19N3O2S — CID 53158373

IUPACN-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-9(2)7-14-11(17)10-8-19-12(15-10)13(18)16-5-3-4-6-16/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeySTYZINRSMJWATB-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.76
Rot. Bonds4

About N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (PubChem CID 53158373) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
PubChem CID53158373
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-9(2)7-14-11(17)10-8-19-12(15-10)13(18)16-5-3-4-6-16/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeySTYZINRSMJWATB-UHFFFAOYSA-N
XLogP1.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
N-[(4-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158382
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
2-(2-pyrrolidin-1-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697328
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158390
N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158381
N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158387
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 104892941
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
(4-methyl-1,3-thiazol-2-yl)-piperidin-1-ylmethanone
CID 67514784
azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169
2-(1-aminoethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 66388553

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (CID 53158373) is N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is CC(C)CNC(=O)c1csc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The InChIKey is STYZINRSMJWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(2)7-14-11(17)10-8-19-12(15-10)13(18)16-5-3-4-6-16/h8-9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53158373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).