5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C9H10N4S — CID 103363370

IUPAC5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCNc1snc(N)c1-c1cccnc1
InChIInChI=1S/C9H10N4S/c1-11-9-7(8(10)13-14-9)6-3-2-4-12-5-6/h2-5,11H,1H3,(H2,10,13)
InChIKeyRLFRCDXENCDFJD-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.83
Rot. Bonds2

About 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103363370) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103363370
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCNc1snc(N)c1-c1cccnc1
InChIInChI=1S/C9H10N4S/c1-11-9-7(8(10)13-14-9)6-3-2-4-12-5-6/h2-5,11H,1H3,(H2,10,13)
InChIKeyRLFRCDXENCDFJD-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-3-yl-5-N-(2,2,3,3-tetramethylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103364408
5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359786
4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364167
5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103365334
5-N-[(4-methylthiophen-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364637
5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364656
5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360134
5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364915
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359536
5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359144

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103363370) is 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CNc1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is RLFRCDXENCDFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-11-9-7(8(10)13-14-9)6-3-2-4-12-5-6/h2-5,11H,1H3,(H2,10,13).
What are the key properties of 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 206.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).