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

C18H16ClN3O2S — CID 110393569

IUPAC1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
SMILESO=C(NCCc1nc(-c2ccc(O)cc2)cs1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2S/c19-13-2-1-3-14(10-13)21-18(24)20-9-8-17-22-16(11-25-17)12-4-6-15(23)7-5-12/h1-7,10-11,23H,8-9H2,(H2,20,21,24)
InChIKeyVUILHKCLTSSQFB-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.53
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea (PubChem CID 110393569) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
PubChem CID110393569
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
SMILESO=C(NCCc1nc(-c2ccc(O)cc2)cs1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2S/c19-13-2-1-3-14(10-13)21-18(24)20-9-8-17-22-16(11-25-17)12-4-6-15(23)7-5-12/h1-7,10-11,23H,8-9H2,(H2,20,21,24)
InChIKeyVUILHKCLTSSQFB-UHFFFAOYSA-N
XLogP4.53
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317792
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552
2-[2-[(3-iodophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373706
3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393548
1-(3-chloro-4-methylphenyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
CID 56549783
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea (CID 110393569) is 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea is O=C(NCCc1nc(-c2ccc(O)cc2)cs1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
The InChIKey is VUILHKCLTSSQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-13-2-1-3-14(10-13)21-18(24)20-9-8-17-22-16(11-25-17)12-4-6-15(23)7-5-12/h1-7,10-11,23H,8-9H2,(H2,20,21,24).
What are the key properties of 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea has a molecular weight of 373.87 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea is sourced from PubChem (CID 110393569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).