2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine

C13H18N4S — CID 114049823

IUPAC2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2nc(C(C)(C)C)cs2)ccc1N
InChIInChI=1S/C13H18N4S/c1-8-9(14)5-6-11(15-8)17-12-16-10(7-18-12)13(2,3)4/h5-7H,14H2,1-4H3,(H,15,16,17)
InChIKeyLEJVMCNEJTVKKM-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.47
Rot. Bonds2

About 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine

2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine (PubChem CID 114049823) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine
PubChem CID114049823
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2nc(C(C)(C)C)cs2)ccc1N
InChIInChI=1S/C13H18N4S/c1-8-9(14)5-6-11(15-8)17-12-16-10(7-18-12)13(2,3)4/h5-7H,14H2,1-4H3,(H,15,16,17)
InChIKeyLEJVMCNEJTVKKM-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide
CID 64589638
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 114049656
methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate
CID 114405863
6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyrazine-2-carboxamide
CID 170511217
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 90824816
(4-tert-butyl-1,3-thiazol-2-yl)cyanamide
CID 27060536
4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061104
N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine
CID 63874771
5-bromo-2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 114891504
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 114919380
N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
CID 54960658
4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 3542449

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine (CID 114049823) is 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine is Cc1nc(Nc2nc(C(C)(C)C)cs2)ccc1N.
What is the InChIKey of 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine?
The InChIKey is LEJVMCNEJTVKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-9(14)5-6-11(15-8)17-12-16-10(7-18-12)13(2,3)4/h5-7H,14H2,1-4H3,(H,15,16,17).
What are the key properties of 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine?
2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 114049823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).