N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine

C15H14N2S3 — CID 107803844

IUPACN-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine
SMILESC[C@H]1CC(Nc2ccc3ncsc3c2)c2ccsc2S1
InChIInChI=1S/C15H14N2S3/c1-9-6-13(11-4-5-18-15(11)20-9)17-10-2-3-12-14(7-10)19-8-16-12/h2-5,7-9,13,17H,6H2,1H3/t9-,13?/m0/s1
InChIKeyYLYCZWRMHZFRPY-LLTODGECSA-N
MW318.49 g/mol
LogP5.40
Rot. Bonds2

About N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine

N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine (PubChem CID 107803844) has the molecular formula C15H14N2S3 and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine
PubChem CID107803844
Molecular FormulaC15H14N2S3
Molecular Weight318.49 g/mol
Exact Mass318.03
IUPAC NameN-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine
SMILESC[C@H]1CC(Nc2ccc3ncsc3c2)c2ccsc2S1
InChIInChI=1S/C15H14N2S3/c1-9-6-13(11-4-5-18-15(11)20-9)17-10-2-3-12-14(7-10)19-8-16-12/h2-5,7-9,13,17H,6H2,1H3/t9-,13?/m0/s1
InChIKeyYLYCZWRMHZFRPY-LLTODGECSA-N
XLogP5.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine with MolForge

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Related Compounds

(6S)-N-(3-chloro-4-nitrophenyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 82863103
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine
CID 107093956
N-(5,5-dimethylthian-3-yl)-1,3-benzothiazol-6-amine
CID 114003022
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944
3-(1,3-benzothiazol-6-ylamino)pyrrolidine-2,5-dione
CID 107804200
N-(azepan-4-yl)-1,3-benzothiazol-6-amine
CID 107803941
N-(4-ethylcycloheptyl)-1,3-benzothiazol-6-amine
CID 107803878
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
CID 107803892
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine
CID 166263533
4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine
CID 83009498
3-(1,3-benzothiazol-6-ylamino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107804197

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine (CID 107803844) is N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine is C[C@H]1CC(Nc2ccc3ncsc3c2)c2ccsc2S1.
What is the InChIKey of N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine?
The InChIKey is YLYCZWRMHZFRPY-LLTODGECSA-N. The full InChI is InChI=1S/C15H14N2S3/c1-9-6-13(11-4-5-18-15(11)20-9)17-10-2-3-12-14(7-10)19-8-16-12/h2-5,7-9,13,17H,6H2,1H3/t9-,13?/m0/s1.
What are the key properties of N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine?
N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine has a molecular weight of 318.49 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).