2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole

C14H17N3S — CID 58985190

IUPAC2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(N3CCNCC3)cc2)cs1
InChIInChI=1S/C14H17N3S/c1-11-16-14(10-18-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyMPVGZRXIOWGULI-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole

2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole (PubChem CID 58985190) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
PubChem CID58985190
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(N3CCNCC3)cc2)cs1
InChIInChI=1S/C14H17N3S/c1-11-16-14(10-18-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyMPVGZRXIOWGULI-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole (CID 58985190) is 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole is Cc1nc(-c2ccc(N3CCNCC3)cc2)cs1.
What is the InChIKey of 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole?
The InChIKey is MPVGZRXIOWGULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-16-14(10-18-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole?
2-methyl-4-(4-piperazin-1-ylphenyl)-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-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 58985190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).