1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea

C16H20ClN3OS — CID 110624857

IUPAC1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3OS/c1-11(2)9-19-16(21)18-8-7-12-10-22-15(20-12)13-5-3-4-6-14(13)17/h3-6,10-11H,7-9H2,1-2H3,(H2,18,19,21)
InChIKeyXCJLPZWKJAHMPX-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.96
Rot. Bonds6

About 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea

1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea (PubChem CID 110624857) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
PubChem CID110624857
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3OS/c1-11(2)9-19-16(21)18-8-7-12-10-22-15(20-12)13-5-3-4-6-14(13)17/h3-6,10-11H,7-9H2,1-2H3,(H2,18,19,21)
InChIKeyXCJLPZWKJAHMPX-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 110284938
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenylpropyl)acetamide
CID 43017112
N-(3-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119996517
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9457086
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 111976952

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea (CID 110624857) is 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCCc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea?
The InChIKey is XCJLPZWKJAHMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-11(2)9-19-16(21)18-8-7-12-10-22-15(20-12)13-5-3-4-6-14(13)17/h3-6,10-11H,7-9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea?
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea has a molecular weight of 337.88 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 110624857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).