(4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C11H12N2S2 — CID 35699011

IUPAC(4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1nc2c(s1)[C@H](c1cccs1)NCC2
InChIInChI=1S/C11H12N2S2/c1-7-13-8-4-5-12-10(11(8)15-7)9-3-2-6-14-9/h2-3,6,10,12H,4-5H2,1H3/t10-/m0/s1
InChIKeyFNUGCJCOGKZMNL-JTQLQIEISA-N
MW236.36 g/mol
LogP2.75
Rot. Bonds1

About (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

(4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 35699011) has the molecular formula C11H12N2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID35699011
Molecular FormulaC11H12N2S2
Molecular Weight236.36 g/mol
Exact Mass236.04
IUPAC Name(4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1nc2c(s1)[C@H](c1cccs1)NCC2
InChIInChI=1S/C11H12N2S2/c1-7-13-8-4-5-12-10(11(8)15-7)9-3-2-6-14-9/h2-3,6,10,12H,4-5H2,1H3/t10-/m0/s1
InChIKeyFNUGCJCOGKZMNL-JTQLQIEISA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 35699011) is (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Cc1nc2c(s1)[C@H](c1cccs1)NCC2.
What is the InChIKey of (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is FNUGCJCOGKZMNL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2S2/c1-7-13-8-4-5-12-10(11(8)15-7)9-3-2-6-14-9/h2-3,6,10,12H,4-5H2,1H3/t10-/m0/s1.
What are the key properties of (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
(4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 236.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-thiophen-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 35699011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).