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

C13H21N3S — CID 62544662

IUPACN-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
SMILESCC(C)N1CCc2nc(CNC3CC3)sc2C1
InChIInChI=1S/C13H21N3S/c1-9(2)16-6-5-11-12(8-16)17-13(15-11)7-14-10-3-4-10/h9-10,14H,3-8H2,1-2H3
InChIKeyVSJKGQNMDUIQHK-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.16
Rot. Bonds4

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

N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine (PubChem CID 62544662) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
PubChem CID62544662
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
SMILESCC(C)N1CCc2nc(CNC3CC3)sc2C1
InChIInChI=1S/C13H21N3S/c1-9(2)16-6-5-11-12(8-16)17-13(15-11)7-14-10-3-4-10/h9-10,14H,3-8H2,1-2H3
InChIKeyVSJKGQNMDUIQHK-UHFFFAOYSA-N
XLogP2.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine (CID 62544662) is N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine is CC(C)N1CCc2nc(CNC3CC3)sc2C1.
What is the InChIKey of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine?
The InChIKey is VSJKGQNMDUIQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9(2)16-6-5-11-12(8-16)17-13(15-11)7-14-10-3-4-10/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine?
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine has a molecular weight of 251.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62544662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).