1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea

C16H19N3OS2 — CID 112825265

IUPAC1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
SMILESCc1ccc(SCCNC(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C16H19N3OS2/c1-11-2-6-13(7-3-11)21-9-8-17-15(20)19-16-18-14(10-22-16)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyZPKRXKHJSLRXNO-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.24
Rot. Bonds6

About 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea

1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea (PubChem CID 112825265) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
PubChem CID112825265
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
SMILESCc1ccc(SCCNC(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C16H19N3OS2/c1-11-2-6-13(7-3-11)21-9-8-17-15(20)19-16-18-14(10-22-16)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyZPKRXKHJSLRXNO-UHFFFAOYSA-N
XLogP4.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]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

Thiourea, N-(4-methyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001105
Thiourea, N-(4-ethyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001106
Thiourea, N-(2-phenylethyl)-N'-(4-propyl-2-thiazolyl)-
CID 3001107
Thiourea, N-(4-(1-methylethyl)-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001108
1-(4-Butylthiazol-2-yl)-3-phenethyl-thiourea
CID 3001109
1-[4-(1-Amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea
CID 46943582
1-[4-[Amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-phenylethyl)urea
CID 49789725
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-methyl-5-phenylpentyl)urea
CID 164609017
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(2R)-2-phenylpropyl]urea
CID 164610648
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[2-methyl-3-(4-methylphenyl)propyl]urea
CID 164611757
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(3-methyl-2-phenylbutyl)urea
CID 164614645
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylbutyl)urea
CID 164617783

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
The IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea (CID 112825265) is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
The canonical SMILES for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea is Cc1ccc(SCCNC(=O)Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
The InChIKey is ZPKRXKHJSLRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-11-2-6-13(7-3-11)21-9-8-17-15(20)19-16-18-14(10-22-16)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea has a molecular weight of 333.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea is sourced from PubChem (CID 112825265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).