4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole

C19H24N6S — CID 72935137

IUPAC4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
SMILESCCCCn1ncnc1-c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N6S/c1-2-3-9-25-18(20-15-21-25)17-14-26-19(22-17)24-12-10-23(11-13-24)16-7-5-4-6-8-16/h4-8,14-15H,2-3,9-13H2,1H3
InChIKeyZHUYJEZSSBHNAX-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.53
Rot. Bonds6

About 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole

4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole (PubChem CID 72935137) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
PubChem CID72935137
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
SMILESCCCCn1ncnc1-c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N6S/c1-2-3-9-25-18(20-15-21-25)17-14-26-19(22-17)24-12-10-23(11-13-24)16-7-5-4-6-8-16/h4-8,14-15H,2-3,9-13H2,1H3
InChIKeyZHUYJEZSSBHNAX-UHFFFAOYSA-N
XLogP3.53
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole with MolForge

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Related Compounds

4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
4-butyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 82515030
1-[4-[4-(2-butyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 160658958
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 53160987
4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide
CID 57199831
1-butylsulfanyl-4-phenylpiperazine
CID 91602178
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1447304
[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 118778045

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole (CID 72935137) is 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole is CCCCn1ncnc1-c1csc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is ZHUYJEZSSBHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-2-3-9-25-18(20-15-21-25)17-14-26-19(22-17)24-12-10-23(11-13-24)16-7-5-4-6-8-16/h4-8,14-15H,2-3,9-13H2,1H3.
What are the key properties of 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole?
4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 368.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 72935137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).