N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C12H21N3S — CID 125456894

IUPACN,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCC(C)N(c1nc2c(s1)CNCC2)C(C)C
InChIInChI=1S/C12H21N3S/c1-8(2)15(9(3)4)12-14-10-5-6-13-7-11(10)16-12/h8-9,13H,5-7H2,1-4H3
InChIKeyIEZNQJMCOLJDFG-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.41
Rot. Bonds3

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

N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 125456894) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID125456894
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCC(C)N(c1nc2c(s1)CNCC2)C(C)C
InChIInChI=1S/C12H21N3S/c1-8(2)15(9(3)4)12-14-10-5-6-13-7-11(10)16-12/h8-9,13H,5-7H2,1-4H3
InChIKeyIEZNQJMCOLJDFG-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 125456894) is N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is CC(C)N(c1nc2c(s1)CNCC2)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is IEZNQJMCOLJDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)15(9(3)4)12-14-10-5-6-13-7-11(10)16-12/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 125456894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).