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

C16H18N4S2 — CID 84595927

IUPAC5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1nc(-c2cc3c(s2)CCN(Cc2nccn2C)C3)cs1
InChIInChI=1S/C16H18N4S2/c1-11-18-13(10-21-11)15-7-12-8-20(5-3-14(12)22-15)9-16-17-4-6-19(16)2/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyAKERDCOYBCUFSL-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.47
Rot. Bonds3

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

5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 84595927) has the molecular formula C16H18N4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID84595927
Molecular FormulaC16H18N4S2
Molecular Weight330.48 g/mol
Exact Mass330.10
IUPAC Name5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1nc(-c2cc3c(s2)CCN(Cc2nccn2C)C3)cs1
InChIInChI=1S/C16H18N4S2/c1-11-18-13(10-21-11)15-7-12-8-20(5-3-14(12)22-15)9-16-17-4-6-19(16)2/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyAKERDCOYBCUFSL-UHFFFAOYSA-N
XLogP3.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 84595927) is 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1nc(-c2cc3c(s2)CCN(Cc2nccn2C)C3)cs1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is AKERDCOYBCUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S2/c1-11-18-13(10-21-11)15-7-12-8-20(5-3-14(12)22-15)9-16-17-4-6-19(16)2/h4,6-7,10H,3,5,8-9H2,1-2H3.
What are the key properties of 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 330.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 84595927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).