1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea

C14H12N4O2S — CID 110491929

IUPAC1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
SMILESCOc1cccc2sc(NC(=O)Nc3ccccn3)nc12
InChIInChI=1S/C14H12N4O2S/c1-20-9-5-4-6-10-12(9)17-14(21-10)18-13(19)16-11-7-2-3-8-15-11/h2-8H,1H3,(H2,15,16,17,18,19)
InChIKeyFUBJLXPFSKGOPM-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea

1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea (PubChem CID 110491929) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
PubChem CID110491929
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
SMILESCOc1cccc2sc(NC(=O)Nc3ccccn3)nc12
InChIInChI=1S/C14H12N4O2S/c1-20-9-5-4-6-10-12(9)17-14(21-10)18-13(19)16-11-7-2-3-8-15-11/h2-8H,1H3,(H2,15,16,17,18,19)
InChIKeyFUBJLXPFSKGOPM-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491805
(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-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082158
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea (CID 110491929) is 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea is COc1cccc2sc(NC(=O)Nc3ccccn3)nc12.
What is the InChIKey of 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
The InChIKey is FUBJLXPFSKGOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-9-5-4-6-10-12(9)17-14(21-10)18-13(19)16-11-7-2-3-8-15-11/h2-8H,1H3,(H2,15,16,17,18,19).
What are the key properties of 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea has a molecular weight of 300.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 110491929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).