(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea

C11H12N2O2S — CID 143739797

IUPAC(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea
SMILESCOc1ccc2c(C)c(NC(N)=O)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-6-8-4-3-7(15-2)5-9(8)16-10(6)13-11(12)14/h3-5H,1-2H3,(H3,12,13,14)
InChIKeyFOKGYTLQQYBIIK-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.71
Rot. Bonds2

About (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea

(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea (PubChem CID 143739797) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea
PubChem CID143739797
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea
SMILESCOc1ccc2c(C)c(NC(N)=O)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-6-8-4-3-7(15-2)5-9(8)16-10(6)13-11(12)14/h3-5H,1-2H3,(H3,12,13,14)
InChIKeyFOKGYTLQQYBIIK-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
CID 102972133
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 177382285
3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 83912133
[3-(6-amino-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carbonyl)-6-methoxy-1-benzothiophen-2-yl]urea
CID 89134874
methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 54390123
2-(carbamoylamino)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxamide
CID 142840319
N-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 3401255
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
2-(carbamoylamino)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxylic acid
CID 91367020
3-chloro-N-[(1R,2R)-2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 2377769

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea?
The IUPAC name of (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea (CID 143739797) is (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea.
What is the SMILES notation for (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea?
The canonical SMILES for (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea is COc1ccc2c(C)c(NC(N)=O)sc2c1.
What is the InChIKey of (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea?
The InChIKey is FOKGYTLQQYBIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6-8-4-3-7(15-2)5-9(8)16-10(6)13-11(12)14/h3-5H,1-2H3,(H3,12,13,14).
What are the key properties of (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea?
(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea has a molecular weight of 236.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1-benzothiophen-2-yl)urea is sourced from PubChem (CID 143739797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).