2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole

C18H25N3S — CID 22196990

IUPAC2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCN1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H25N3S/c1-3-8-20-9-11-21(12-10-20)13-17-14-22-18(19-17)16-6-4-15(2)5-7-16/h4-7,14H,3,8-13H2,1-2H3
InChIKeyGXTOZWPAWGDJLK-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole

2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 22196990) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID22196990
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCN1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H25N3S/c1-3-8-20-9-11-21(12-10-20)13-17-14-22-18(19-17)16-6-4-15(2)5-7-16/h4-7,14H,3,8-13H2,1-2H3
InChIKeyGXTOZWPAWGDJLK-UHFFFAOYSA-N
XLogP3.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 55847157
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butanenitrile
CID 51075203

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole (CID 22196990) is 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole is CCCN1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is GXTOZWPAWGDJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-3-8-20-9-11-21(12-10-20)13-17-14-22-18(19-17)16-6-4-15(2)5-7-16/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 315.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 22196990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).