N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C9H11N3S — CID 2747542

IUPACN-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCC(C)Nc1nc2cccnc2s1
InChIInChI=1S/C9H11N3S/c1-6(2)11-9-12-7-4-3-5-10-8(7)13-9/h3-6H,1-2H3,(H,11,12)
InChIKeyXKSBHFRDGRUBGC-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.51
Rot. Bonds2

About N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 2747542) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID2747542
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCC(C)Nc1nc2cccnc2s1
InChIInChI=1S/C9H11N3S/c1-6(2)11-9-12-7-4-3-5-10-8(7)13-9/h3-6H,1-2H3,(H,11,12)
InChIKeyXKSBHFRDGRUBGC-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 2747542) is N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CC(C)Nc1nc2cccnc2s1.
What is the InChIKey of N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is XKSBHFRDGRUBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6(2)11-9-12-7-4-3-5-10-8(7)13-9/h3-6H,1-2H3,(H,11,12).
What are the key properties of N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 193.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 2747542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).