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

C14H18N2S3 — CID 105019231

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18N2S3/c1-9-7-18-14(16-9)6-11(15-2)13-5-10-8-17-4-3-12(10)19-13/h5,7,11,15H,3-4,6,8H2,1-2H3
InChIKeyZNIBQKGCMMIICT-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.81
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105019231) 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)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105019231
Molecular FormulaC14H18N2S3
Molecular Weight310.51 g/mol
Exact Mass310.06
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18N2S3/c1-9-7-18-14(16-9)6-11(15-2)13-5-10-8-17-4-3-12(10)19-13/h5,7,11,15H,3-4,6,8H2,1-2H3
InChIKeyZNIBQKGCMMIICT-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.81
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)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81261123
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81260992
2-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 81266733
2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 115839950
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822265
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019776
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
1-cycloheptyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 105027681
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991457
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 81260728
1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81260637

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 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) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZNIBQKGCMMIICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S3/c1-9-7-18-14(16-9)6-11(15-2)13-5-10-8-17-4-3-12(10)19-13/h5,7,11,15H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 310.51 g/mol, XLogP of 3.81, 4 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)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105019231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).