(2-amino-5-methylthiophen-3-yl)-phenylmethanone

C12H11NOS — CID 859621

IUPAC(2-amino-5-methylthiophen-3-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(N)s1
InChIInChI=1S/C12H11NOS/c1-8-7-10(12(13)15-8)11(14)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyZDWMOKIIWRMIAR-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.87
Rot. Bonds2

About (2-amino-5-methylthiophen-3-yl)-phenylmethanone

(2-amino-5-methylthiophen-3-yl)-phenylmethanone (PubChem CID 859621) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is (2-amino-5-methylthiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-5-methylthiophen-3-yl)-phenylmethanone
PubChem CID859621
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name(2-amino-5-methylthiophen-3-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(N)s1
InChIInChI=1S/C12H11NOS/c1-8-7-10(12(13)15-8)11(14)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyZDWMOKIIWRMIAR-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
2-Acetyl-3-Amino-5-Phenylthiophene
CID 2807849
3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 686161
5'-Amino-(2,3'-bithiophene)-4'-carboxamide
CID 898663
(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
(2-Amino-4-(3-(trifluoromethyl)phenyl)thiophen-3-yl)(phenyl)methanone
CID 24873485

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylthiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-5-methylthiophen-3-yl)-phenylmethanone (CID 859621) is (2-amino-5-methylthiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-5-methylthiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-5-methylthiophen-3-yl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)c(N)s1.
What is the InChIKey of (2-amino-5-methylthiophen-3-yl)-phenylmethanone?
The InChIKey is ZDWMOKIIWRMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-7-10(12(13)15-8)11(14)9-5-3-2-4-6-9/h2-7H,13H2,1H3.
What are the key properties of (2-amino-5-methylthiophen-3-yl)-phenylmethanone?
(2-amino-5-methylthiophen-3-yl)-phenylmethanone has a molecular weight of 217.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylthiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 859621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).