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

C14H12ClNOS2 — CID 21037074

IUPAC(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1cccc(Cl)c1)CCSC2
InChIInChI=1S/C14H12ClNOS2/c15-9-3-1-2-8(6-9)13(17)12-10-4-5-18-7-11(10)19-14(12)16/h1-3,6H,4-5,7,16H2
InChIKeyPZLKIRBJJQZZSD-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.00
Rot. Bonds2

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

(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone (PubChem CID 21037074) has the molecular formula C14H12ClNOS2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
PubChem CID21037074
Molecular FormulaC14H12ClNOS2
Molecular Weight309.84 g/mol
Exact Mass309.00
IUPAC Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1cccc(Cl)c1)CCSC2
InChIInChI=1S/C14H12ClNOS2/c15-9-3-1-2-8(6-9)13(17)12-10-4-5-18-7-11(10)19-14(12)16/h1-3,6H,4-5,7,16H2
InChIKeyPZLKIRBJJQZZSD-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.00
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-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone
CID 178016497
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone
CID 21037073
N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 10321556
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
CID 11129084
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone
CID 102371413
2-amino-N-(2,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4514007
(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
(2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-yl)-(4-chlorophenyl)methanone
CID 7194853
CID 24798848
CID 24798848
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone (CID 21037074) is (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone is Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCSC2.
What is the InChIKey of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone?
The InChIKey is PZLKIRBJJQZZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS2/c15-9-3-1-2-8(6-9)13(17)12-10-4-5-18-7-11(10)19-14(12)16/h1-3,6H,4-5,7,16H2.
What are the key properties of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone?
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone has a molecular weight of 309.84 g/mol, XLogP of 4.00, 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)-(3-chlorophenyl)methanone is sourced from PubChem (CID 21037074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).