1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea

C14H10ClN3OS — CID 834850

IUPAC1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H10ClN3OS/c15-9-4-3-5-10(8-9)16-13(19)18-14-17-11-6-1-2-7-12(11)20-14/h1-8H,(H2,16,17,18,19)
InChIKeyKIJFMBMCWLDPPH-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.59
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea

1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea (PubChem CID 834850) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
PubChem CID834850
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H10ClN3OS/c15-9-4-3-5-10(8-9)16-13(19)18-14-17-11-6-1-2-7-12(11)20-14/h1-8H,(H2,16,17,18,19)
InChIKeyKIJFMBMCWLDPPH-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chlorophenyl)urea
CID 46381124
1-(1,3-benzothiazol-2-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 41435752
1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
1-(3-aminophenyl)-3-(6-chloro-1,3-benzothiazol-2-yl)urea
CID 29051364
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 46381200
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547
(E)-3-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)prop-2-enamide
CID 7733875
1-[4-(1,3-benzothiazol-2-ylamino)-6-[(3-chlorophenyl)carbamothioylamino]-1,3,5-triazin-2-yl]-3-phenylthiourea
CID 10099423
1-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 175678594
1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
CID 46267438
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16897523

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea (CID 834850) is 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea?
The InChIKey is KIJFMBMCWLDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-9-4-3-5-10(8-9)16-13(19)18-14-17-11-6-1-2-7-12(11)20-14/h1-8H,(H2,16,17,18,19).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea?
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea has a molecular weight of 303.77 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 834850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).