1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea

C16H11Cl2N3O2S — CID 174475178

IUPAC1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nccs1)c1cc(Cl)ccc1Oc1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O2S/c17-10-5-6-14(23-13-4-2-1-3-11(13)18)12(9-10)21(15(19)22)16-20-7-8-24-16/h1-9H,(H2,19,22)
InChIKeyJRJJELLFBMMUBV-UHFFFAOYSA-N
MW380.26 g/mol
LogP5.46
Rot. Bonds4

About 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea

1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea (PubChem CID 174475178) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea
PubChem CID174475178
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nccs1)c1cc(Cl)ccc1Oc1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O2S/c17-10-5-6-14(23-13-4-2-1-3-11(13)18)12(9-10)21(15(19)22)16-20-7-8-24-16/h1-9H,(H2,19,22)
InChIKeyJRJJELLFBMMUBV-UHFFFAOYSA-N
XLogP5.46
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1,3-thiazole
CID 117189206
1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea
CID 118362143
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
CID 61395721
methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
CID 139838408
3-amino-4-(2-chlorophenoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 25003888
2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 67166325
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
4-(2-chlorophenoxy)pyridine-2-carboxamide
CID 141149531
dimethyl 5-[carbamoyl(1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylate
CID 54503967
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
3-amino-4-(2-chlorophenoxy)benzamide
CID 43382705

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea (CID 174475178) is 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea is NC(=O)N(c1nccs1)c1cc(Cl)ccc1Oc1ccccc1Cl.
What is the InChIKey of 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea?
The InChIKey is JRJJELLFBMMUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-10-5-6-14(23-13-4-2-1-3-11(13)18)12(9-10)21(15(19)22)16-20-7-8-24-16/h1-9H,(H2,19,22).
What are the key properties of 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea?
1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea has a molecular weight of 380.26 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 174475178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).