N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide

C12H19N3OS — CID 58563354

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1cnc(NC(=O)CN2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-9(2)10-7-13-12(17-10)14-11(16)8-15-5-3-4-6-15/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyITORSRXFMLNFMR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.30
Rot. Bonds4

About N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide

N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 58563354) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID58563354
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1cnc(NC(=O)CN2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-9(2)10-7-13-12(17-10)14-11(16)8-15-5-3-4-6-15/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyITORSRXFMLNFMR-UHFFFAOYSA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44396116
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 66573013
N-(5-(1,1-Dimethylethyl)-2-thiazolyl)acetamide
CID 842040
2-(3-methylbutylamino)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4334665
2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 16293434
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 52897212
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
N-(5-ethyl-1,3-thiazol-2-yl)acetamide
CID 822440
N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 12393065
N-(5-ethyl-1,3-thiazol-2-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120349051
N-(5-ethyl-1,3-thiazol-2-yl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120349052

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide (CID 58563354) is N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide is CC(C)c1cnc(NC(=O)CN2CCCC2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is ITORSRXFMLNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(2)10-7-13-12(17-10)14-11(16)8-15-5-3-4-6-15/h7,9H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 58563354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).