N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine

C9H12N4S — CID 83834262

IUPACN'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine
SMILESCc1nsc2ccnc(NCCN)c12
InChIInChI=1S/C9H12N4S/c1-6-8-7(14-13-6)2-4-11-9(8)12-5-3-10/h2,4H,3,5,10H2,1H3,(H,11,12)
InChIKeyKHFDLZKKJBSIGG-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.37
Rot. Bonds3

About N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine

N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine (PubChem CID 83834262) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine
PubChem CID83834262
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine
SMILESCc1nsc2ccnc(NCCN)c12
InChIInChI=1S/C9H12N4S/c1-6-8-7(14-13-6)2-4-11-9(8)12-5-3-10/h2,4H,3,5,10H2,1H3,(H,11,12)
InChIKeyKHFDLZKKJBSIGG-UHFFFAOYSA-N
XLogP1.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2-aminoethyl)-5,6-dimethoxyisoquinoline-1,8-diamine
CID 82569866
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine
CID 83830093
3-methyl-N-propyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619092
1-methylbenzo[e][1,2]benzothiazole
CID 22332694
N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28850740
N'-(5,6,7-trifluoroisoquinolin-1-yl)ethane-1,2-diamine
CID 82571180
N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine
CID 82571209
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine
CID 6410655
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83828266

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine (CID 83834262) is N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine is Cc1nsc2ccnc(NCCN)c12.
What is the InChIKey of N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
The InChIKey is KHFDLZKKJBSIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-8-7(14-13-6)2-4-11-9(8)12-5-3-10/h2,4H,3,5,10H2,1H3,(H,11,12).
What are the key properties of N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine has a molecular weight of 208.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83834262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).