N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide

C12H19N3OS — CID 54958427

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)c1csc(NC(=O)CC2CCCN2)n1
InChIInChI=1S/C12H19N3OS/c1-8(2)10-7-17-12(14-10)15-11(16)6-9-4-3-5-13-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKCMCTHVQXMEDFQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.35
Rot. Bonds4

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 54958427) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID54958427
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)c1csc(NC(=O)CC2CCCN2)n1
InChIInChI=1S/C12H19N3OS/c1-8(2)10-7-17-12(14-10)15-11(16)6-9-4-3-5-13-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKCMCTHVQXMEDFQ-UHFFFAOYSA-N
XLogP2.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 80520178
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54960004
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 61482477
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676923
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119676880
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702186
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
CID 113433582
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide (CID 54958427) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide is CC(C)c1csc(NC(=O)CC2CCCN2)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is KCMCTHVQXMEDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)10-7-17-12(14-10)15-11(16)6-9-4-3-5-13-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 54958427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).