(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone

C15H15NOS2 — CID 178016497

IUPAC(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc3c2CCSC3)cc1
InChIInChI=1S/C15H15NOS2/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-18-8-12(11)19-15(13)16/h2-5H,6-8,16H2,1H3
InChIKeyXVNWMGSOLOCEER-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.66
Rot. Bonds2

About (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone

(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone (PubChem CID 178016497) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone
PubChem CID178016497
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc3c2CCSC3)cc1
InChIInChI=1S/C15H15NOS2/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-18-8-12(11)19-15(13)16/h2-5H,6-8,16H2,1H3
InChIKeyXVNWMGSOLOCEER-UHFFFAOYSA-N
XLogP3.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone
CID 21037073
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
CID 21037074
4-(2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)benzonitrile
CID 10858964
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261881
ethyl 2-amino-3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
CID 18182175
N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
CID 10322765
2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid
CID 7131406
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
CID 65354949
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
[2-amino-3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] methanesulfonate
CID 10110646

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone (CID 178016497) is (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(N)sc3c2CCSC3)cc1.
What is the InChIKey of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone?
The InChIKey is XVNWMGSOLOCEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-18-8-12(11)19-15(13)16/h2-5H,6-8,16H2,1H3.
What are the key properties of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone?
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone has a molecular weight of 289.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 178016497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).