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

C16H15N3O3S — CID 100536950

IUPAC1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C16H15N3O3S/c1-19-12-8-7-10(9-14(12)23-16(19)21)17-15(20)18-11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H2,17,18,20)
InChIKeyYOVOTWCCPNYXJV-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.25
Rot. Bonds3

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

1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea (PubChem CID 100536950) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
PubChem CID100536950
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C16H15N3O3S/c1-19-12-8-7-10(9-14(12)23-16(19)21)17-15(20)18-11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H2,17,18,20)
InChIKeyYOVOTWCCPNYXJV-UHFFFAOYSA-N
XLogP3.25
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398
7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 100530050
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
CID 168763596
CID 168763596
1-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]-3-(2-methoxyphenyl)urea
CID 126143751
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide
CID 100531474
methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
CID 22577323
2-(2-methoxyphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244855
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea (CID 100536950) is 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea is COc1ccccc1NC(=O)Nc1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea?
The InChIKey is YOVOTWCCPNYXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-19-12-8-7-10(9-14(12)23-16(19)21)17-15(20)18-11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea?
1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea has a molecular weight of 329.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 100536950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).