chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea

C16H22ClN3OS — CID 174565601

IUPACchlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea
SMILESCCN(CC(C)C)C(=O)Nc1nccs1.Clc1ccccc1
InChIInChI=1S/C10H17N3OS.C6H5Cl/c1-4-13(7-8(2)3)10(14)12-9-11-5-6-15-9;7-6-4-2-1-3-5-6/h5-6,8H,4,7H2,1-3H3,(H,11,12,14);1-5H
InChIKeyLFFIIXBCZHHGMN-UHFFFAOYSA-N
MW339.89 g/mol
LogP4.99
Rot. Bonds4

About chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea

chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 174565601) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Namechlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID174565601
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Namechlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea
SMILESCCN(CC(C)C)C(=O)Nc1nccs1.Clc1ccccc1
InChIInChI=1S/C10H17N3OS.C6H5Cl/c1-4-13(7-8(2)3)10(14)12-9-11-5-6-15-9;7-6-4-2-1-3-5-6/h5-6,8H,4,7H2,1-3H3,(H,11,12,14);1-5H
InChIKeyLFFIIXBCZHHGMN-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(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

N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
CID 47263950
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea
CID 139636454
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea (CID 174565601) is chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea is CCN(CC(C)C)C(=O)Nc1nccs1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is LFFIIXBCZHHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.C6H5Cl/c1-4-13(7-8(2)3)10(14)12-9-11-5-6-15-9;7-6-4-2-1-3-5-6/h5-6,8H,4,7H2,1-3H3,(H,11,12,14);1-5H.
What are the key properties of chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea?
chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 339.89 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 174565601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).