6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine

C9H12N2S — CID 170375121

IUPAC6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)C1=CC2N=CSC2C=N1
InChIInChI=1S/C9H12N2S/c1-6(2)7-3-8-9(4-10-7)12-5-11-8/h3-6,8-9H,1-2H3
InChIKeyBBCRXGJWIMCYPH-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.12
Rot. Bonds1

About 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine

6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 170375121) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID170375121
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)C1=CC2N=CSC2C=N1
InChIInChI=1S/C9H12N2S/c1-6(2)7-3-8-9(4-10-7)12-5-11-8/h3-6,8-9H,1-2H3
InChIKeyBBCRXGJWIMCYPH-UHFFFAOYSA-N
XLogP2.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine (CID 170375121) is 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine is CC(C)C1=CC2N=CSC2C=N1.
What is the InChIKey of 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is BBCRXGJWIMCYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6(2)7-3-8-9(4-10-7)12-5-11-8/h3-6,8-9H,1-2H3.
What are the key properties of 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine?
6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 180.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3a,7a-dihydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 170375121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).