2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole

C14H17N3S — CID 116889870

IUPAC2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole
SMILESCc1ccc(-c2nc(N3CCNCC3)cs2)cc1
InChIInChI=1S/C14H17N3S/c1-11-2-4-12(5-3-11)14-16-13(10-18-14)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyDVXPVERACGJZKC-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole

2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole (PubChem CID 116889870) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole
PubChem CID116889870
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole
SMILESCc1ccc(-c2nc(N3CCNCC3)cs2)cc1
InChIInChI=1S/C14H17N3S/c1-11-2-4-12(5-3-11)14-16-13(10-18-14)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyDVXPVERACGJZKC-UHFFFAOYSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole
CID 116889895
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
CID 3056209
4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 141328072
2-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
2-(4-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525353
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 63342649
N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
CID 122624208
3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163546
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole (CID 116889870) is 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole is Cc1ccc(-c2nc(N3CCNCC3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole?
The InChIKey is DVXPVERACGJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-2-4-12(5-3-11)14-16-13(10-18-14)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole?
2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 116889870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).