(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone

C14H15NOS — CID 855906

IUPAC(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc(C)c2C)cc1
InChIInChI=1S/C14H15NOS/c1-8-4-6-11(7-5-8)13(16)12-9(2)10(3)17-14(12)15/h4-7H,15H2,1-3H3
InChIKeyKNLPGBYZTLBBHO-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.49
Rot. Bonds2

About (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone

(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone (PubChem CID 855906) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone
PubChem CID855906
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc(C)c2C)cc1
InChIInChI=1S/C14H15NOS/c1-8-4-6-11(7-5-8)13(16)12-9(2)10(3)17-14(12)15/h4-7H,15H2,1-3H3
InChIKeyKNLPGBYZTLBBHO-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 855908
2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
PD 81723
CID 122028
(2-Amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(3-methylphenyl)methanone
CID 2454977
2-Acetyl-3-Amino-5-Phenylthiophene
CID 2807849
3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 686161
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
(2-Aminothiophen-3-yl)(phenyl)methanone
CID 644720
(2-Amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-methylphenyl)methanone
CID 754850
3-(4-chlorobenzoyl)-4H,5H,6H-cyclopenta(b)thiophen-2-amine
CID 859628
(2-Amino-4-(3-(trifluoromethyl)phenyl)thiophen-3-yl)(phenyl)methanone
CID 24873485

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone (CID 855906) is (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(N)sc(C)c2C)cc1.
What is the InChIKey of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone?
The InChIKey is KNLPGBYZTLBBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-8-4-6-11(7-5-8)13(16)12-9(2)10(3)17-14(12)15/h4-7H,15H2,1-3H3.
What are the key properties of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone?
(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone has a molecular weight of 245.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 855906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).