1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea

C19H15N3O3S — CID 2327992

IUPAC1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C19H15N3O3S/c1-24-14-7-4-6-13(10-14)20-18(23)22-19-21-15(11-26-19)17-9-12-5-2-3-8-16(12)25-17/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyOXUNGIJMWUZXNH-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.21
Rot. Bonds4

About 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea

1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea (PubChem CID 2327992) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
PubChem CID2327992
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C19H15N3O3S/c1-24-14-7-4-6-13(10-14)20-18(23)22-19-21-15(11-26-19)17-9-12-5-2-3-8-16(12)25-17/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyOXUNGIJMWUZXNH-UHFFFAOYSA-N
XLogP5.21
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-Benzofuran-2-yl)-1,3-thiazol-2-amine
CID 2303676
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 734562
4-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 2484138
N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 774920
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2059463
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1008246
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
(3-Methoxy-4-oxazol-5-yl-phenyl)-(4-phenyl-thiazol-2-yl)-amine
CID 22459727
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144370
N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 687454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea (CID 2327992) is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is OXUNGIJMWUZXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-24-14-7-4-6-13(10-14)20-18(23)22-19-21-15(11-26-19)17-9-12-5-2-3-8-16(12)25-17/h2-11H,1H3,(H2,20,21,22,23).
What are the key properties of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 365.41 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 2327992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).