N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide

C13H21N3OS — CID 63049087

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cscn1)N1CCCC1
InChIInChI=1S/C13H21N3OS/c1-10(2)12(16-5-3-4-6-16)7-14-13(17)11-8-18-9-15-11/h8-10,12H,3-7H2,1-2H3,(H,14,17)
InChIKeyOQDXUMMCXJQJPW-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.99
Rot. Bonds5

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide

N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 63049087) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID63049087
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cscn1)N1CCCC1
InChIInChI=1S/C13H21N3OS/c1-10(2)12(16-5-3-4-6-16)7-14-13(17)11-8-18-9-15-11/h8-10,12H,3-7H2,1-2H3,(H,14,17)
InChIKeyOQDXUMMCXJQJPW-UHFFFAOYSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide
CID 95158420
2-(1-aminoethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 66388553
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 63049608
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-(3-methyl-2-piperidin-1-ylbutyl)furan-2-carboxamide
CID 110402831
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
2-(5-amino-2-pyridinyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 107338304
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide (CID 63049087) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide is CC(C)C(CNC(=O)c1cscn1)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OQDXUMMCXJQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(2)12(16-5-3-4-6-16)7-14-13(17)11-8-18-9-15-11/h8-10,12H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).