(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol

C9H13NOS — CID 84659242

IUPAC(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol
SMILESCc1cc2c(s1)CC(CO)NC2
InChIInChI=1S/C9H13NOS/c1-6-2-7-4-10-8(5-11)3-9(7)12-6/h2,8,10-11H,3-5H2,1H3
InChIKeyWKWJUDREFBPEKF-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.06
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol

(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol (PubChem CID 84659242) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol
PubChem CID84659242
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol
SMILESCc1cc2c(s1)CC(CO)NC2
InChIInChI=1S/C9H13NOS/c1-6-2-7-4-10-8(5-11)3-9(7)12-6/h2,8,10-11H,3-5H2,1H3
InChIKeyWKWJUDREFBPEKF-UHFFFAOYSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol (CID 84659242) is (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol is Cc1cc2c(s1)CC(CO)NC2.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol?
The InChIKey is WKWJUDREFBPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-2-7-4-10-8(5-11)3-9(7)12-6/h2,8,10-11H,3-5H2,1H3.
What are the key properties of (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol?
(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol has a molecular weight of 183.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol is sourced from PubChem (CID 84659242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).