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

C12H12ClN3OS — CID 49470404

IUPAC1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c13-9-1-3-10(4-2-9)16-12(17)15-6-5-11-14-7-8-18-11/h1-4,7-8H,5-6H2,(H2,15,16,17)
InChIKeyBFBFEWWWFAECFI-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.16
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 49470404) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID49470404
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c13-9-1-3-10(4-2-9)16-12(17)15-6-5-11-14-7-8-18-11/h1-4,7-8H,5-6H2,(H2,15,16,17)
InChIKeyBFBFEWWWFAECFI-UHFFFAOYSA-N
XLogP3.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
CID 63241030
4-chloro-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]benzoic acid
CID 63240493
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 167748185
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 110645471
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
CID 110285049
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 49470389
1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47149786

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 49470404) is 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea is O=C(NCCc1nccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is BFBFEWWWFAECFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-9-1-3-10(4-2-9)16-12(17)15-6-5-11-14-7-8-18-11/h1-4,7-8H,5-6H2,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 281.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 49470404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).