1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea

C19H14ClN3O3S — CID 30349488

IUPAC1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea
SMILESCOc1cccc2cc(-c3csc(NC(=O)Nc4cccc(Cl)c4)n3)oc12
InChIInChI=1S/C19H14ClN3O3S/c1-25-15-7-2-4-11-8-16(26-17(11)15)14-10-27-19(22-14)23-18(24)21-13-6-3-5-12(20)9-13/h2-10H,1H3,(H2,21,22,23,24)
InChIKeySWTJVSGRIOSWFD-UHFFFAOYSA-N
MW399.86 g/mol
LogP5.86
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea

1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea (PubChem CID 30349488) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea
PubChem CID30349488
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea
SMILESCOc1cccc2cc(-c3csc(NC(=O)Nc4cccc(Cl)c4)n3)oc12
InChIInChI=1S/C19H14ClN3O3S/c1-25-15-7-2-4-11-8-16(26-17(11)15)14-10-27-19(22-14)23-18(24)21-13-6-3-5-12(20)9-13/h2-10H,1H3,(H2,21,22,23,24)
InChIKeySWTJVSGRIOSWFD-UHFFFAOYSA-N
XLogP5.86
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.86
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 30349569
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 44916083
1-(3-chlorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
CID 5146841
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 18570613
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea (CID 30349488) is 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea is COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(Cl)c4)n3)oc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is SWTJVSGRIOSWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c1-25-15-7-2-4-11-8-16(26-17(11)15)14-10-27-19(22-14)23-18(24)21-13-6-3-5-12(20)9-13/h2-10H,1H3,(H2,21,22,23,24).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 399.86 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 30349488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).