1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea

C12H14N2OS — CID 115169299

IUPAC1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1csc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-13-12(15)14(2)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyDHPXXWQFFYSSGV-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.67
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea

1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea (PubChem CID 115169299) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
PubChem CID115169299
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1csc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-13-12(15)14(2)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyDHPXXWQFFYSSGV-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-(2-propylphenyl)urea
CID 112826081
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-(1H-pyrazol-4-yl)urea
CID 47071984
4-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025091
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea
CID 112838134
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
4-[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672892

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea (CID 115169299) is 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea is CNC(=O)N(C)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea?
The InChIKey is DHPXXWQFFYSSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-13-12(15)14(2)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea?
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea has a molecular weight of 234.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea is sourced from PubChem (CID 115169299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).