1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C17H21ClN4OS — CID 78871896

IUPAC1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(c2cccc(Cl)c2)N2CCCC2)n1
InChIInChI=1S/C17H21ClN4OS/c1-12-11-24-17(20-12)21-16(23)19-10-15(22-7-2-3-8-22)13-5-4-6-14(18)9-13/h4-6,9,11,15H,2-3,7-8,10H2,1H3,(H2,19,20,21,23)
InChIKeyYKQGBWYGQXMTSN-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 78871896) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID78871896
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(c2cccc(Cl)c2)N2CCCC2)n1
InChIInChI=1S/C17H21ClN4OS/c1-12-11-24-17(20-12)21-16(23)19-10-15(22-7-2-3-8-22)13-5-4-6-14(18)9-13/h4-6,9,11,15H,2-3,7-8,10H2,1H3,(H2,19,20,21,23)
InChIKeyYKQGBWYGQXMTSN-UHFFFAOYSA-N
XLogP4.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)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

1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea
CID 51959661
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55841557
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
1-(3-chlorophenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]urea
CID 7496603
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896124
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 78871896) is 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NCC(c2cccc(Cl)c2)N2CCCC2)n1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is YKQGBWYGQXMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-12-11-24-17(20-12)21-16(23)19-10-15(22-7-2-3-8-22)13-5-4-6-14(18)9-13/h4-6,9,11,15H,2-3,7-8,10H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 364.90 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 78871896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).