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

C17H21NOS — CID 10266082

IUPAC(2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
SMILESCc1sc(N)c(C(=O)c2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C17H21NOS/c1-10-11(2)20-16(18)14(10)15(19)12-6-8-13(9-7-12)17(3,4)5/h6-9H,18H2,1-5H3
InChIKeyHNYVFWFLSCFMIB-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.48
Rot. Bonds2

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

(2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone (PubChem CID 10266082) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
PubChem CID10266082
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
SMILESCc1sc(N)c(C(=O)c2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C17H21NOS/c1-10-11(2)20-16(18)14(10)15(19)12-6-8-13(9-7-12)17(3,4)5/h6-9H,18H2,1-5H3
InChIKeyHNYVFWFLSCFMIB-UHFFFAOYSA-N
XLogP4.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 11011169
(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
CID 859637
3-amino-4-(4-tert-butylbenzoyl)cyclobut-3-ene-1,2-dione
CID 142659147
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
CID 1134164
(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
CID 39383239
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
3-benzoyl-4,5-dimethylthiophene-2-carboxylic acid
CID 11821344
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone;1-(2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridin-5-yl)ethanone
CID 157425406
4-tert-butylbenzoic acid;copper
CID 67780260

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone (CID 10266082) is (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone is Cc1sc(N)c(C(=O)c2ccc(C(C)(C)C)cc2)c1C.
What is the InChIKey of (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
The InChIKey is HNYVFWFLSCFMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-10-11(2)20-16(18)14(10)15(19)12-6-8-13(9-7-12)17(3,4)5/h6-9H,18H2,1-5H3.
What are the key properties of (2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
(2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone has a molecular weight of 287.43 g/mol, XLogP of 4.48, 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-tert-butylphenyl)methanone is sourced from PubChem (CID 10266082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).