2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole

C10H13N5S — CID 136840091

IUPAC2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
SMILESCCc1nc2n(n1)C(c1nccs1)CCN2
InChIInChI=1S/C10H13N5S/c1-2-8-13-10-12-4-3-7(15(10)14-8)9-11-5-6-16-9/h5-7H,2-4H2,1H3,(H,12,13,14)
InChIKeyKTXBJSDXADLLKL-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.70
Rot. Bonds2

About 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole

2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole (PubChem CID 136840091) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
PubChem CID136840091
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
SMILESCCc1nc2n(n1)C(c1nccs1)CCN2
InChIInChI=1S/C10H13N5S/c1-2-8-13-10-12-4-3-7(15(10)14-8)9-11-5-6-16-9/h5-7H,2-4H2,1H3,(H,12,13,14)
InChIKeyKTXBJSDXADLLKL-UHFFFAOYSA-N
XLogP1.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole with MolForge

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Related Compounds

[7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 136837715
2-ethyl-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840120
2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136838464
2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole
CID 136709710
2-(2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136837431
(7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
CID 136837739
ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837786
2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136839945
2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole
CID 136841271
[7-(3-amino-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 136837737
7-(3-methylthiophen-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709306
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole (CID 136840091) is 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole is CCc1nc2n(n1)C(c1nccs1)CCN2.
What is the InChIKey of 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The InChIKey is KTXBJSDXADLLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-8-13-10-12-4-3-7(15(10)14-8)9-11-5-6-16-9/h5-7H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole has a molecular weight of 235.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole is sourced from PubChem (CID 136840091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).