6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine

C10H13N5S — CID 79825816

IUPAC6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
SMILESCN(Cc1cscn1)c1ccc(N)c(N)n1
InChIInChI=1S/C10H13N5S/c1-15(4-7-5-16-6-13-7)9-3-2-8(11)10(12)14-9/h2-3,5-6H,4,11H2,1H3,(H2,12,14)
InChIKeyCEPCOXLBTRQNSK-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.34
Rot. Bonds3

About 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine

6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine (PubChem CID 79825816) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
PubChem CID79825816
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
SMILESCN(Cc1cscn1)c1ccc(N)c(N)n1
InChIInChI=1S/C10H13N5S/c1-15(4-7-5-16-6-13-7)9-3-2-8(11)10(12)14-9/h2-3,5-6H,4,11H2,1H3,(H2,12,14)
InChIKeyCEPCOXLBTRQNSK-UHFFFAOYSA-N
XLogP1.34
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
CID 55013621
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 55013899
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283705
5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 55013762
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103349079
3-bromo-8-N-methyl-8-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 106949237
6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
CID 79828230

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine (CID 79825816) is 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine is CN(Cc1cscn1)c1ccc(N)c(N)n1.
What is the InChIKey of 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine?
The InChIKey is CEPCOXLBTRQNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-15(4-7-5-16-6-13-7)9-3-2-8(11)10(12)14-9/h2-3,5-6H,4,11H2,1H3,(H2,12,14).
What are the key properties of 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine?
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine has a molecular weight of 235.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79825816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).