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

C19H15N3O2S — CID 30349444

IUPAC1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C19H15N3O2S/c1-12-6-8-14(9-7-12)20-18(23)22-19-21-15(11-25-19)17-10-13-4-2-3-5-16(13)24-17/h2-11H,1H3,(H2,20,21,22,23)
InChIKeySXEJSYRFICGWJP-UHFFFAOYSA-N
MW349.42 g/mol
LogP5.51
Rot. Bonds3

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

1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (PubChem CID 30349444) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
PubChem CID30349444
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C19H15N3O2S/c1-12-6-8-14(9-7-12)20-18(23)22-19-21-15(11-25-19)17-10-13-4-2-3-5-16(13)24-17/h2-11H,1H3,(H2,20,21,22,23)
InChIKeySXEJSYRFICGWJP-UHFFFAOYSA-N
XLogP5.51
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (CID 30349444) is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The InChIKey is SXEJSYRFICGWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-6-8-14(9-7-12)20-18(23)22-19-21-15(11-25-19)17-10-13-4-2-3-5-16(13)24-17/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-(4-methylphenyl)urea?
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea has a molecular weight of 349.42 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 30349444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).