2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C11H12N2S2 — CID 71757271

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1nc(-c2cc3c(s2)CCNC3)cs1
InChIInChI=1S/C11H12N2S2/c1-7-13-9(6-14-7)11-4-8-5-12-3-2-10(8)15-11/h4,6,12H,2-3,5H2,1H3
InChIKeyCKJIXPZEBBPLQB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.83
Rot. Bonds1

About 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 71757271) has the molecular formula C11H12N2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID71757271
Molecular FormulaC11H12N2S2
Molecular Weight236.36 g/mol
Exact Mass236.04
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1nc(-c2cc3c(s2)CCNC3)cs1
InChIInChI=1S/C11H12N2S2/c1-7-13-9(6-14-7)11-4-8-5-12-3-2-10(8)15-11/h4,6,12H,2-3,5H2,1H3
InChIKeyCKJIXPZEBBPLQB-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 71757271) is 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Cc1nc(-c2cc3c(s2)CCNC3)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is CKJIXPZEBBPLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-7-13-9(6-14-7)11-4-8-5-12-3-2-10(8)15-11/h4,6,12H,2-3,5H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 236.36 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 71757271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).