1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C14H21N3O2S — CID 111630943

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1nc(C)cs1
InChIInChI=1S/C14H21N3O2S/c1-3-12(13-15-9(2)8-20-13)17-14(19)16-11-5-4-10(6-11)7-18/h4-5,8,10-12,18H,3,6-7H2,1-2H3,(H2,16,17,19)/t10-,11+,12?/m0/s1
InChIKeyJQMIFOIIZNECIO-WIKAKEFZSA-N
MW295.41 g/mol
LogP2.14
Rot. Bonds5

About 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 111630943) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID111630943
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1nc(C)cs1
InChIInChI=1S/C14H21N3O2S/c1-3-12(13-15-9(2)8-20-13)17-14(19)16-11-5-4-10(6-11)7-18/h4-5,8,10-12,18H,3,6-7H2,1-2H3,(H2,16,17,19)/t10-,11+,12?/m0/s1
InChIKeyJQMIFOIIZNECIO-WIKAKEFZSA-N
XLogP2.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea 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

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
1-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]urea
CID 95598200
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
CID 124508146
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(3-nitrophenyl)propyl]urea
CID 111795214
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-4-ylethyl)urea
CID 111630344
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 111630943) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1nc(C)cs1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is JQMIFOIIZNECIO-WIKAKEFZSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-12(13-15-9(2)8-20-13)17-14(19)16-11-5-4-10(6-11)7-18/h4-5,8,10-12,18H,3,6-7H2,1-2H3,(H2,16,17,19)/t10-,11+,12?/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 295.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 111630943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).