5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine

C11H14N4S — CID 66278017

IUPAC5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
SMILESCc1cnc(NCCc2nccs2)c(N)c1
InChIInChI=1S/C11H14N4S/c1-8-6-9(12)11(15-7-8)14-3-2-10-13-4-5-16-10/h4-7H,2-3,12H2,1H3,(H,14,15)
InChIKeyCLBOTUXEWNPMRF-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.08
Rot. Bonds4

About 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine

5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine (PubChem CID 66278017) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
PubChem CID66278017
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
SMILESCc1cnc(NCCc2nccs2)c(N)c1
InChIInChI=1S/C11H14N4S/c1-8-6-9(12)11(15-7-8)14-3-2-10-13-4-5-16-10/h4-7H,2-3,12H2,1H3,(H,14,15)
InChIKeyCLBOTUXEWNPMRF-UHFFFAOYSA-N
XLogP2.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 66280637
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82116058
4,5-dimethoxy-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 83001770
5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 127006730
2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 83202225

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine (CID 66278017) is 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine is Cc1cnc(NCCc2nccs2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is CLBOTUXEWNPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-6-9(12)11(15-7-8)14-3-2-10-13-4-5-16-10/h4-7H,2-3,12H2,1H3,(H,14,15).
What are the key properties of 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine?
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 66278017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).