5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H14N6S — CID 18168086

IUPAC5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2csc(C)n2)n2ncnc2n1
InChIInChI=1S/C12H14N6S/c1-8-5-11(18-12(16-8)14-7-15-18)13-4-3-10-6-19-9(2)17-10/h5-7,13H,3-4H2,1-2H3
InChIKeyMJCWCPAZVQXACV-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.85
Rot. Bonds4

About 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18168086) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18168086
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2csc(C)n2)n2ncnc2n1
InChIInChI=1S/C12H14N6S/c1-8-5-11(18-12(16-8)14-7-15-18)13-4-3-10-6-19-9(2)17-10/h5-7,13H,3-4H2,1-2H3
InChIKeyMJCWCPAZVQXACV-UHFFFAOYSA-N
XLogP1.85
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,2,3,5-tetramethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70768449
5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 34043746
2,3,5-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70770351
N-[7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 171351546
5-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70711262
5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899755
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56908202
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
N~7~-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl][1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine
CID 131944685
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea
CID 138026009
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 164636230
3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 164638440

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18168086) is 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCc2csc(C)n2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MJCWCPAZVQXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-8-5-11(18-12(16-8)14-7-15-18)13-4-3-10-6-19-9(2)17-10/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 274.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18168086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).