1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea

C16H14ClN3O2S — CID 121086658

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H14ClN3O2S/c1-9-18-12-5-4-11(8-15(12)23-9)19-16(21)20-13-7-10(17)3-6-14(13)22-2/h3-8H,1-2H3,(H2,19,20,21)
InChIKeyJZDDCUYYHDJJCA-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.91
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (PubChem CID 121086658) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
PubChem CID121086658
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H14ClN3O2S/c1-9-18-12-5-4-11(8-15(12)23-9)19-16(21)20-13-7-10(17)3-6-14(13)22-2/h3-8H,1-2H3,(H2,19,20,21)
InChIKeyJZDDCUYYHDJJCA-UHFFFAOYSA-N
XLogP4.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
1-(5-chloro-2-methoxyphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-5-yl]urea
CID 46382087
1-(5-chloro-2-methoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 50753216
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 40608321
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (CID 121086658) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The InChIKey is JZDDCUYYHDJJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-9-18-12-5-4-11(8-15(12)23-9)19-16(21)20-13-7-10(17)3-6-14(13)22-2/h3-8H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea has a molecular weight of 347.83 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 121086658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).