1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea

C14H11N3O2S — CID 5330590

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C14H11N3O2S/c18-10-5-4-9-2-1-3-12(11(9)8-10)16-13(19)17-14-15-6-7-20-14/h1-8,18H,(H2,15,16,17,19)
InChIKeyOGVBOMQMFJXWFR-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.65
Rot. Bonds2

About 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea

1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 5330590) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID5330590
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C14H11N3O2S/c18-10-5-4-9-2-1-3-12(11(9)8-10)16-13(19)17-14-15-6-7-20-14/h1-8,18H,(H2,15,16,17,19)
InChIKeyOGVBOMQMFJXWFR-UHFFFAOYSA-N
XLogP3.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524572
1-(7-hydroxynaphthalen-1-yl)-3-(4-phenoxyphenyl)urea
CID 10133734
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea (CID 5330590) is 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is OGVBOMQMFJXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-10-5-4-9-2-1-3-12(11(9)8-10)16-13(19)17-14-15-6-7-20-14/h1-8,18H,(H2,15,16,17,19).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea?
1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 285.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 5330590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).