2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine

C12H16N4S — CID 115748558

IUPAC2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1csc(CNc2ccc(N(C)C)nc2)n1
InChIInChI=1S/C12H16N4S/c1-9-8-17-12(15-9)7-13-10-4-5-11(14-6-10)16(2)3/h4-6,8,13H,7H2,1-3H3
InChIKeyZBKGZLZRSHYYKY-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.52
Rot. Bonds4

About 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 115748558) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
PubChem CID115748558
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1csc(CNc2ccc(N(C)C)nc2)n1
InChIInChI=1S/C12H16N4S/c1-9-8-17-12(15-9)7-13-10-4-5-11(14-6-10)16(2)3/h4-6,8,13H,7H2,1-3H3
InChIKeyZBKGZLZRSHYYKY-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 82539184
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702
5-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 61325554
N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743550
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 79017133
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine (CID 115748558) is 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine is Cc1csc(CNc2ccc(N(C)C)nc2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is ZBKGZLZRSHYYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-8-17-12(15-9)7-13-10-4-5-11(14-6-10)16(2)3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 115748558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).