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

C16H15N3O2S — CID 8853021

IUPAC1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H15N3O2S/c1-10-17-13-8-7-11(9-15(13)22-10)18-16(20)19-12-5-3-4-6-14(12)21-2/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyCRWSWKBXLIAFLE-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.26
Rot. Bonds3

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

1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (PubChem CID 8853021) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
PubChem CID8853021
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H15N3O2S/c1-10-17-13-8-7-11(9-15(13)22-10)18-16(20)19-12-5-3-4-6-14(12)21-2/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyCRWSWKBXLIAFLE-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 121086658
1-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]-3-(2-methoxyphenyl)urea
CID 126143751
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 17383803
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 46381122
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
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
1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
CID 100536950
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (CID 8853021) is 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is COc1ccccc1NC(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The InChIKey is CRWSWKBXLIAFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-17-13-8-7-11(9-15(13)22-10)18-16(20)19-12-5-3-4-6-14(12)21-2/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea has a molecular weight of 313.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 8853021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).