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

C12H12ClN3OS — CID 51932156

IUPAC1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@H](NC(=O)Nc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c1-8(9-2-4-10(13)5-3-9)15-11(17)16-12-14-6-7-18-12/h2-8H,1H3,(H2,14,15,16,17)/t8-/m0/s1
InChIKeyWXMMQYZJTGEUSZ-QMMMGPOBSA-N
MW281.77 g/mol
LogP3.68
Rot. Bonds3

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

1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 51932156) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID51932156
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@H](NC(=O)Nc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c1-8(9-2-4-10(13)5-3-9)15-11(17)16-12-14-6-7-18-12/h2-8H,1H3,(H2,14,15,16,17)/t8-/m0/s1
InChIKeyWXMMQYZJTGEUSZ-QMMMGPOBSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
1-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024703
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
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1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
2-(4-chlorophenyl)-2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 10309071
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
CID 86999645
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 53499388
1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94197374
1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47149786

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (CID 51932156) is 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is C[C@H](NC(=O)Nc1nccs1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is WXMMQYZJTGEUSZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-8(9-2-4-10(13)5-3-9)15-11(17)16-12-14-6-7-18-12/h2-8H,1H3,(H2,14,15,16,17)/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 281.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 51932156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).