1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea

C17H17N3O4S — CID 121080247

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3c(OC)cccc3s2)c(OC)c1
InChIInChI=1S/C17H17N3O4S/c1-22-10-7-8-11(13(9-10)24-3)18-16(21)20-17-19-15-12(23-2)5-4-6-14(15)25-17/h4-9H,1-3H3,(H2,18,19,20,21)
InChIKeyCEBRJYXYPTXULB-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.97
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea

1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea (PubChem CID 121080247) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
PubChem CID121080247
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3c(OC)cccc3s2)c(OC)c1
InChIInChI=1S/C17H17N3O4S/c1-22-10-7-8-11(13(9-10)24-3)18-16(21)20-17-19-15-12(23-2)5-4-6-14(15)25-17/h4-9H,1-3H3,(H2,18,19,20,21)
InChIKeyCEBRJYXYPTXULB-UHFFFAOYSA-N
XLogP3.97
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081368
1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080700
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea (CID 121080247) is 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea is COc1ccc(NC(=O)Nc2nc3c(OC)cccc3s2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
The InChIKey is CEBRJYXYPTXULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-10-7-8-11(13(9-10)24-3)18-16(21)20-17-19-15-12(23-2)5-4-6-14(15)25-17/h4-9H,1-3H3,(H2,18,19,20,21).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea has a molecular weight of 359.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 121080247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).