2,4-dimethylthiophene;phenylcarbamic acid

C13H15NO2S — CID 175534034

IUPAC2,4-dimethylthiophene;phenylcarbamic acid
SMILESCc1csc(C)c1.O=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2.C6H8S/c9-7(10)8-6-4-2-1-3-5-6;1-5-3-6(2)7-4-5/h1-5,8H,(H,9,10);3-4H,1-2H3
InChIKeySYKCDYPMPPQSAQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.14
Rot. Bonds1

About 2,4-dimethylthiophene;phenylcarbamic acid

2,4-dimethylthiophene;phenylcarbamic acid (PubChem CID 175534034) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2,4-dimethylthiophene;phenylcarbamic acid.

Molecular Properties

Compound Name2,4-dimethylthiophene;phenylcarbamic acid
PubChem CID175534034
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2,4-dimethylthiophene;phenylcarbamic acid
SMILESCc1csc(C)c1.O=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2.C6H8S/c9-7(10)8-6-4-2-1-3-5-6;1-5-3-6(2)7-4-5/h1-5,8H,(H,9,10);3-4H,1-2H3
InChIKeySYKCDYPMPPQSAQ-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N'-(3,5-dimethylphenyl)-N-phenyloxamide
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(3-phenylphenyl)carbamic acid
CID 611602
[3-(methylamino)phenyl]carbamic acid
CID 66771222
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
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4,5-dimethyl-N-phenylthiophene-3-carboxamide
CID 3475307
(4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 873557
cobalt;N-phenylacetamide
CID 158689050
ethenoxyethene;phenylcarbamic acid
CID 159140981

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiophene;phenylcarbamic acid?
The IUPAC name of 2,4-dimethylthiophene;phenylcarbamic acid (CID 175534034) is 2,4-dimethylthiophene;phenylcarbamic acid.
What is the SMILES notation for 2,4-dimethylthiophene;phenylcarbamic acid?
The canonical SMILES for 2,4-dimethylthiophene;phenylcarbamic acid is Cc1csc(C)c1.O=C(O)Nc1ccccc1.
What is the InChIKey of 2,4-dimethylthiophene;phenylcarbamic acid?
The InChIKey is SYKCDYPMPPQSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C6H8S/c9-7(10)8-6-4-2-1-3-5-6;1-5-3-6(2)7-4-5/h1-5,8H,(H,9,10);3-4H,1-2H3.
What are the key properties of 2,4-dimethylthiophene;phenylcarbamic acid?
2,4-dimethylthiophene;phenylcarbamic acid has a molecular weight of 249.34 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthiophene;phenylcarbamic acid is sourced from PubChem (CID 175534034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).