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

C12H12ClN3OS — CID 110284890

IUPAC1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cscn1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c13-9-2-1-3-10(6-9)16-12(17)14-5-4-11-7-18-8-15-11/h1-3,6-8H,4-5H2,(H2,14,16,17)
InChIKeyPPWLRMLUKAHHGG-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.16
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 110284890) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID110284890
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cscn1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c13-9-2-1-3-10(6-9)16-12(17)14-5-4-11-7-18-8-15-11/h1-3,6-8H,4-5H2,(H2,14,16,17)
InChIKeyPPWLRMLUKAHHGG-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

1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432221
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 75432219
1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 110393569
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568207
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317792
1-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731922
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 110284890) is 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1cscn1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is PPWLRMLUKAHHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-9-2-1-3-10(6-9)16-12(17)14-5-4-11-7-18-8-15-11/h1-3,6-8H,4-5H2,(H2,14,16,17).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-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-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 110284890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).