4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole

C9H12N4S — CID 115395542

IUPAC4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCC(C)Cn1cnnc1-c1cscn1
InChIInChI=1S/C9H12N4S/c1-7(2)3-13-5-11-12-9(13)8-4-14-6-10-8/h4-7H,3H2,1-2H3
InChIKeyOEGYECPCGBOWAT-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.06
Rot. Bonds3

About 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole

4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 115395542) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID115395542
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCC(C)Cn1cnnc1-c1cscn1
InChIInChI=1S/C9H12N4S/c1-7(2)3-13-5-11-12-9(13)8-4-14-6-10-8/h4-7H,3H2,1-2H3
InChIKeyOEGYECPCGBOWAT-UHFFFAOYSA-N
XLogP2.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 115394689
3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107976153
4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 115395669
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 114909548
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
CID 115395568
3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107967389
4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine
CID 62711251
3-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395624
2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine
CID 115395550
3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395609

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole (CID 115395542) is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole is CC(C)Cn1cnnc1-c1cscn1.
What is the InChIKey of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is OEGYECPCGBOWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7(2)3-13-5-11-12-9(13)8-4-14-6-10-8/h4-7H,3H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 208.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 115395542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).