N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine

C9H12N4S — CID 130769841

IUPACN-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine
SMILESCNCC(C)c1nc2nccnc2s1
InChIInChI=1S/C9H12N4S/c1-6(5-10-2)8-13-7-9(14-8)12-4-3-11-7/h3-4,6,10H,5H2,1-2H3
InChIKeyTUWIAQFBDWOLOQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine

N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine (PubChem CID 130769841) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine
PubChem CID130769841
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine
SMILESCNCC(C)c1nc2nccnc2s1
InChIInChI=1S/C9H12N4S/c1-6(5-10-2)8-13-7-9(14-8)12-4-3-11-7/h3-4,6,10H,5H2,1-2H3
InChIKeyTUWIAQFBDWOLOQ-UHFFFAOYSA-N
XLogP1.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine (CID 130769841) is N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine is CNCC(C)c1nc2nccnc2s1.
What is the InChIKey of N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine?
The InChIKey is TUWIAQFBDWOLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6(5-10-2)8-13-7-9(14-8)12-4-3-11-7/h3-4,6,10H,5H2,1-2H3.
What are the key properties of N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine?
N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine has a molecular weight of 208.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine is sourced from PubChem (CID 130769841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).