1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea

C10H8ClN3O2S — CID 99831962

IUPAC1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(O)c(Cl)c1)Nc1nccs1
InChIInChI=1S/C10H8ClN3O2S/c11-7-5-6(1-2-8(7)15)13-9(16)14-10-12-3-4-17-10/h1-5,15H,(H2,12,13,14,16)
InChIKeyPCNUVIGWSWRIPY-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.15
Rot. Bonds2

About 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea

1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 99831962) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID99831962
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(O)c(Cl)c1)Nc1nccs1
InChIInChI=1S/C10H8ClN3O2S/c11-7-5-6(1-2-8(7)15)13-9(16)14-10-12-3-4-17-10/h1-5,15H,(H2,12,13,14,16)
InChIKeyPCNUVIGWSWRIPY-UHFFFAOYSA-N
XLogP3.15
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23822862
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
CID 61188411
2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 136822378
1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
CID 99832161
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea (CID 99831962) is 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1ccc(O)c(Cl)c1)Nc1nccs1.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is PCNUVIGWSWRIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-7-5-6(1-2-8(7)15)13-9(16)14-10-12-3-4-17-10/h1-5,15H,(H2,12,13,14,16).
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea?
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 269.71 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 99831962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).