3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole

C8H10N4S — CID 166542000

IUPAC3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole
SMILESCC(C)c1ncnn1-c1ccsn1
InChIInChI=1S/C8H10N4S/c1-6(2)8-9-5-10-12(8)7-3-4-13-11-7/h3-6H,1-2H3
InChIKeyROZKQHYCABQSAH-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.85
Rot. Bonds2

About 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole

3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole (PubChem CID 166542000) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole
PubChem CID166542000
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole
SMILESCC(C)c1ncnn1-c1ccsn1
InChIInChI=1S/C8H10N4S/c1-6(2)8-9-5-10-12(8)7-3-4-13-11-7/h3-6H,1-2H3
InChIKeyROZKQHYCABQSAH-UHFFFAOYSA-N
XLogP1.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
CID 166878634
2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine
CID 178047135
4-(5-propan-2-yl-1,2,4-triazol-1-yl)-6-prop-1-en-2-ylpyrimidine
CID 178027940
(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
CID 167507554
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
5-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,3-thiazole-2-carbonitrile
CID 166541998
2-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,3-thiazole-5-carbonitrile
CID 164588884
N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 135185533
1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole
CID 157030837
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
2,2,2-trifluoroacetic acid;(1S)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]ethanamine
CID 175898071
N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide
CID 166878526

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole?
The IUPAC name of 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole (CID 166542000) is 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole.
What is the SMILES notation for 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole?
The canonical SMILES for 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole is CC(C)c1ncnn1-c1ccsn1.
What is the InChIKey of 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole?
The InChIKey is ROZKQHYCABQSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6(2)8-9-5-10-12(8)7-3-4-13-11-7/h3-6H,1-2H3.
What are the key properties of 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole?
3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole has a molecular weight of 194.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole is sourced from PubChem (CID 166542000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).