1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea

C18H13N3OS2 — CID 22559487

IUPAC1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1cc2ccccc2s1)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C18H13N3OS2/c22-17(20-16-10-13-8-4-5-9-14(13)23-16)21-18-19-11-15(24-18)12-6-2-1-3-7-12/h1-11H,(H2,19,20,21,22)
InChIKeyLLQKUUZJGMWJHM-UHFFFAOYSA-N
MW351.46 g/mol
LogP5.67
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea

1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 22559487) has the molecular formula C18H13N3OS2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID22559487
Molecular FormulaC18H13N3OS2
Molecular Weight351.46 g/mol
Exact Mass351.05
IUPAC Name1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1cc2ccccc2s1)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C18H13N3OS2/c22-17(20-16-10-13-8-4-5-9-14(13)23-16)21-18-19-11-15(24-18)12-6-2-1-3-7-12/h1-11H,(H2,19,20,21,22)
InChIKeyLLQKUUZJGMWJHM-UHFFFAOYSA-N
XLogP5.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzothiophen-2-yl)-1-[1-benzothiophen-2-ylcarbamoyl-(5-cyclopropyl-1,3-thiazol-2-yl)amino]-1-(5-phenyl-1,3-thiazol-2-yl)urea
CID 90891757
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
CID 2811404
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 110890971
3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
CID 48769108
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 71855707
1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 150015699

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea (CID 22559487) is 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1cc2ccccc2s1)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is LLQKUUZJGMWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS2/c22-17(20-16-10-13-8-4-5-9-14(13)23-16)21-18-19-11-15(24-18)12-6-2-1-3-7-12/h1-11H,(H2,19,20,21,22).
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 351.46 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22559487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).