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

C13H16N2S3 — CID 81297813

IUPAC(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCc1csc(CNC2C[C@H](C)Sc3sccc32)n1
InChIInChI=1S/C13H16N2S3/c1-8-7-17-12(15-8)6-14-11-5-9(2)18-13-10(11)3-4-16-13/h3-4,7,9,11,14H,5-6H2,1-2H3/t9-,11?/m0/s1
InChIKeyMOVTXZKMFDHJQS-FTNKSUMCSA-N
MW296.49 g/mol
LogP4.23
Rot. Bonds3

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

(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81297813) has the molecular formula C13H16N2S3 and a molecular weight of 296.49 g/mol. Its IUPAC name is (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81297813
Molecular FormulaC13H16N2S3
Molecular Weight296.49 g/mol
Exact Mass296.05
IUPAC Name(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCc1csc(CNC2C[C@H](C)Sc3sccc32)n1
InChIInChI=1S/C13H16N2S3/c1-8-7-17-12(15-8)6-14-11-5-9(2)18-13-10(11)3-4-16-13/h3-4,7,9,11,14H,5-6H2,1-2H3/t9-,11?/m0/s1
InChIKeyMOVTXZKMFDHJQS-FTNKSUMCSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81323691
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
(6S)-N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81332614
(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297042
(6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81298698
(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301381
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149232
2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone
CID 103777424
1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 81338146
(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 104926388
(6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103901416
(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81337819

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81297813) is (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is Cc1csc(CNC2C[C@H](C)Sc3sccc32)n1.
What is the InChIKey of (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is MOVTXZKMFDHJQS-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H16N2S3/c1-8-7-17-12(15-8)6-14-11-5-9(2)18-13-10(11)3-4-16-13/h3-4,7,9,11,14H,5-6H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 296.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81297813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).