5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine

C13H15N3S — CID 39870377

IUPAC5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(s1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C13H15N3S/c14-13-15-11-9-16(7-6-12(11)17-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15)
InChIKeyVISLXHVJSCZPQV-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.28
Rot. Bonds2

About 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine

5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 39870377) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID39870377
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(s1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C13H15N3S/c14-13-15-11-9-16(7-6-12(11)17-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15)
InChIKeyVISLXHVJSCZPQV-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 39870377) is 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine is Nc1nc2c(s1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is VISLXHVJSCZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-13-15-11-9-16(7-6-12(11)17-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15).
What are the key properties of 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine?
5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 39870377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).