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

C13H20N4S — CID 131931088

IUPAC5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
SMILESCCCCn1nc(C(C)C)nc1-c1scnc1C
InChIInChI=1S/C13H20N4S/c1-5-6-7-17-13(11-10(4)14-8-18-11)15-12(16-17)9(2)3/h8-9H,5-7H2,1-4H3
InChIKeyDEQRLAVUSHBPSN-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.63
Rot. Bonds5

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

5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole (PubChem CID 131931088) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
PubChem CID131931088
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
SMILESCCCCn1nc(C(C)C)nc1-c1scnc1C
InChIInChI=1S/C13H20N4S/c1-5-6-7-17-13(11-10(4)14-8-18-11)15-12(16-17)9(2)3/h8-9H,5-7H2,1-4H3
InChIKeyDEQRLAVUSHBPSN-UHFFFAOYSA-N
XLogP3.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53192557
4-Methyl-5-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53192566
4-methyl-5-{[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}-1,3-thiazole
CID 53192765
5-{[3-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}-4-methyl-1,3-thiazole
CID 53192771
5-[[2-[4-(Cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 87052198
2-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
CID 71971971
4-[5-(2-isopropyl-4-methyl-1,3-thiazol-5-yl)-3-methyl-1H-1,2,4-triazol-1-yl]-1-methylpiperidine
CID 72918262
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 129396971
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 129619067
2-Methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol
CID 131907874
5-[2-Tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 129615783
4-Methyl-5-[5-[(1-methylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 72909319

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole (CID 131931088) is 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole is CCCCn1nc(C(C)C)nc1-c1scnc1C.
What is the InChIKey of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
The InChIKey is DEQRLAVUSHBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-6-7-17-13(11-10(4)14-8-18-11)15-12(16-17)9(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole has a molecular weight of 264.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 131931088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).