1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea

C18H19N3O3S — CID 121080700

IUPAC1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3c(C)c(C)ccc3s2)c(OC)c1
InChIInChI=1S/C18H19N3O3S/c1-10-5-8-15-16(11(10)2)20-18(25-15)21-17(22)19-13-7-6-12(23-3)9-14(13)24-4/h5-9H,1-4H3,(H2,19,20,21,22)
InChIKeyZLMNICOQCZXIFL-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.57
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea

1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea (PubChem CID 121080700) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
PubChem CID121080700
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3c(C)c(C)ccc3s2)c(OC)c1
InChIInChI=1S/C18H19N3O3S/c1-10-5-8-15-16(11(10)2)20-18(25-15)21-17(22)19-13-7-6-12(23-3)9-14(13)24-4/h5-9H,1-4H3,(H2,19,20,21,22)
InChIKeyZLMNICOQCZXIFL-UHFFFAOYSA-N
XLogP4.57
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35521821
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081368
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8719026
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080705
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 17383803
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121080807
2-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081442
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 5146476

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea (CID 121080700) is 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea is COc1ccc(NC(=O)Nc2nc3c(C)c(C)ccc3s2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea?
The InChIKey is ZLMNICOQCZXIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10-5-8-15-16(11(10)2)20-18(25-15)21-17(22)19-13-7-6-12(23-3)9-14(13)24-4/h5-9H,1-4H3,(H2,19,20,21,22).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea?
1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea has a molecular weight of 357.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 121080700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).