3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine

C12H21N3S — CID 82098278

IUPAC3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine
SMILESCC(C)c1nc2c(s1)CN(CCCN)CC2
InChIInChI=1S/C12H21N3S/c1-9(2)12-14-10-4-7-15(6-3-5-13)8-11(10)16-12/h9H,3-8,13H2,1-2H3
InChIKeyXHWZQSXUVHXLJP-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.97
Rot. Bonds4

About 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine

3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine (PubChem CID 82098278) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine
PubChem CID82098278
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine
SMILESCC(C)c1nc2c(s1)CN(CCCN)CC2
InChIInChI=1S/C12H21N3S/c1-9(2)12-14-10-4-7-15(6-3-5-13)8-11(10)16-12/h9H,3-8,13H2,1-2H3
InChIKeyXHWZQSXUVHXLJP-UHFFFAOYSA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine?
The IUPAC name of 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine (CID 82098278) is 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine is CC(C)c1nc2c(s1)CN(CCCN)CC2.
What is the InChIKey of 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine?
The InChIKey is XHWZQSXUVHXLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)12-14-10-4-7-15(6-3-5-13)8-11(10)16-12/h9H,3-8,13H2,1-2H3.
What are the key properties of 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine?
3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine is sourced from PubChem (CID 82098278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).