1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one

C14H22N2OS — CID 79545913

IUPAC1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
SMILESCCCc1nc(CN2CCCC2CC(C)=O)cs1
InChIInChI=1S/C14H22N2OS/c1-3-5-14-15-12(10-18-14)9-16-7-4-6-13(16)8-11(2)17/h10,13H,3-9H2,1-2H3
InChIKeyNXWQQXWPXDEHCJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.04
Rot. Bonds6

About 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one

1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 79545913) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
PubChem CID79545913
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
SMILESCCCc1nc(CN2CCCC2CC(C)=O)cs1
InChIInChI=1S/C14H22N2OS/c1-3-5-14-15-12(10-18-14)9-16-7-4-6-13(16)8-11(2)17/h10,13H,3-9H2,1-2H3
InChIKeyNXWQQXWPXDEHCJ-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784529
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one (CID 79545913) is 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one is CCCc1nc(CN2CCCC2CC(C)=O)cs1.
What is the InChIKey of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is NXWQQXWPXDEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-14-15-12(10-18-14)9-16-7-4-6-13(16)8-11(2)17/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 266.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79545913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).