1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine

C14H18N2S3 — CID 105019776

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2cc3c(s2)CCSC3)sc1C
InChIInChI=1S/C14H18N2S3/c1-8-9(2)18-14(16-8)6-11(15)13-5-10-7-17-4-3-12(10)19-13/h5,11H,3-4,6-7,15H2,1-2H3
InChIKeyBFLXVZNATTYDRE-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.85
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105019776) has the molecular formula C14H18N2S3 and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105019776
Molecular FormulaC14H18N2S3
Molecular Weight310.51 g/mol
Exact Mass310.06
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2cc3c(s2)CCSC3)sc1C
InChIInChI=1S/C14H18N2S3/c1-8-9(2)18-14(16-8)6-11(15)13-5-10-7-17-4-3-12(10)19-13/h5,11H,3-4,6-7,15H2,1-2H3
InChIKeyBFLXVZNATTYDRE-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105036782
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019231
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
CID 104994984
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine
CID 105033893
2-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105037851
2-(5-bromo-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 115839435
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105171790
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 81260728
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 115826146

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (CID 105019776) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is Cc1nc(CC(N)c2cc3c(s2)CCSC3)sc1C.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is BFLXVZNATTYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S3/c1-8-9(2)18-14(16-8)6-11(15)13-5-10-7-17-4-3-12(10)19-13/h5,11H,3-4,6-7,15H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 310.51 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105019776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).