1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea

C13H11N3O2S2 — CID 20885064

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
SMILESCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
InChIInChI=1S/C13H11N3O2S2/c1-18-8-4-5-9-10(7-8)20-13(14-9)16-12(17)15-11-3-2-6-19-11/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyCLOWGSDPLQPREB-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.01
Rot. Bonds3

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea (PubChem CID 20885064) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
PubChem CID20885064
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
SMILESCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
InChIInChI=1S/C13H11N3O2S2/c1-18-8-4-5-9-10(7-8)20-13(14-9)16-12(17)15-11-3-2-6-19-11/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyCLOWGSDPLQPREB-UHFFFAOYSA-N
XLogP4.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)urea
CID 110676070
1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 4206727
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
CID 24666179
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 46809326
2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanamide
CID 43328820
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
dimethyl 2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-thiophen-2-ylmethyl]propanedioate
CID 56590326
[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium
CID 87394436
1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35279656

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea (CID 20885064) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea is COc1ccc2nc(NC(=O)Nc3cccs3)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The InChIKey is CLOWGSDPLQPREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-18-8-4-5-9-10(7-8)20-13(14-9)16-12(17)15-11-3-2-6-19-11/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea has a molecular weight of 305.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 20885064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).