5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole

C17H23N3S — CID 82162161

IUPAC5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2nc(N3CCNCC3)sc2C)cc1
InChIInChI=1S/C17H23N3S/c1-3-4-14-5-7-15(8-6-14)16-13(2)21-17(19-16)20-11-9-18-10-12-20/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyVGGSIWAJCDQRHD-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.48
Rot. Bonds4

About 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole

5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole (PubChem CID 82162161) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole
PubChem CID82162161
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2nc(N3CCNCC3)sc2C)cc1
InChIInChI=1S/C17H23N3S/c1-3-4-14-5-7-15(8-6-14)16-13(2)21-17(19-16)20-11-9-18-10-12-20/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyVGGSIWAJCDQRHD-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 86880810
4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 62632333
4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 94777129
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
6-butyl-2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 82020498
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
CID 173175208
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole
CID 60528657
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
CID 3056209
5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 21100189
ethoxy-[4-(4-phenoxyphenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]methanol
CID 134443237

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole (CID 82162161) is 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole is CCCc1ccc(-c2nc(N3CCNCC3)sc2C)cc1.
What is the InChIKey of 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole?
The InChIKey is VGGSIWAJCDQRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-4-14-5-7-15(8-6-14)16-13(2)21-17(19-16)20-11-9-18-10-12-20/h5-8,18H,3-4,9-12H2,1-2H3.
What are the key properties of 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole?
5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole is sourced from PubChem (CID 82162161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).