4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C16H16N2S3 — CID 18088978

IUPAC4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H16N2S3/c1-11-13-5-8-20-14(13)4-6-18(11)9-12-10-21-16(17-12)15-3-2-7-19-15/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyVWCTWSIPZPCUFW-UHFFFAOYSA-N
MW332.52 g/mol
LogP5.05
Rot. Bonds3

About 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 18088978) has the molecular formula C16H16N2S3 and a molecular weight of 332.52 g/mol. Its IUPAC name is 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID18088978
Molecular FormulaC16H16N2S3
Molecular Weight332.52 g/mol
Exact Mass332.05
IUPAC Name4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H16N2S3/c1-11-13-5-8-20-14(13)4-6-18(11)9-12-10-21-16(17-12)15-3-2-7-19-15/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyVWCTWSIPZPCUFW-UHFFFAOYSA-N
XLogP5.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 18088978) is 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1Cc1csc(-c2cccs2)n1.
What is the InChIKey of 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is VWCTWSIPZPCUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S3/c1-11-13-5-8-20-14(13)4-6-18(11)9-12-10-21-16(17-12)15-3-2-7-19-15/h2-3,5,7-8,10-11H,4,6,9H2,1H3.
What are the key properties of 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 332.52 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 18088978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).