2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine

C11H14N4S — CID 83266327

IUPAC2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(N(C)Cc2cscn2)cc1N
InChIInChI=1S/C11H14N4S/c1-8-4-13-11(3-10(8)12)15(2)5-9-6-16-7-14-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13)
InChIKeyPHZQICAMAOSNTP-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.07
Rot. Bonds3

About 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine

2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine (PubChem CID 83266327) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
PubChem CID83266327
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(N(C)Cc2cscn2)cc1N
InChIInChI=1S/C11H14N4S/c1-8-4-13-11(3-10(8)12)15(2)5-9-6-16-7-14-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13)
InChIKeyPHZQICAMAOSNTP-UHFFFAOYSA-N
XLogP2.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
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-2,3-diamine
CID 66278220
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
5-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83265932
3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
CID 115001003
6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
CID 55013621
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925749
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine (CID 83266327) is 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine is Cc1cnc(N(C)Cc2cscn2)cc1N.
What is the InChIKey of 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine?
The InChIKey is PHZQICAMAOSNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-4-13-11(3-10(8)12)15(2)5-9-6-16-7-14-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13).
What are the key properties of 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine?
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 83266327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).