4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole

C14H17N3S — CID 173148055

IUPAC4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole
SMILESCN1CCN(c2csnc2-c2ccccc2)CC1
InChIInChI=1S/C14H17N3S/c1-16-7-9-17(10-8-16)13-11-18-15-14(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyGYSDLQDQEVZQOO-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.56
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole

4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole (PubChem CID 173148055) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole
PubChem CID173148055
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole
SMILESCN1CCN(c2csnc2-c2ccccc2)CC1
InChIInChI=1S/C14H17N3S/c1-16-7-9-17(10-8-16)13-11-18-15-14(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyGYSDLQDQEVZQOO-UHFFFAOYSA-N
XLogP2.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
CID 139438505
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
1-methyl-4-(5-phenylthiophen-3-yl)piperazine
CID 57261916
2-(4-methylpiperazin-1-yl)-5-phenylaniline
CID 175786504
4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate
CID 51058349
7-(4-methylpiperazin-1-yl)-2,3-diphenylpyrido[2,3-b]pyrazine
CID 11153246
1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
CID 133407191
4-(4-methylpiperazin-1-yl)-3-phenylbenzaldehyde
CID 11482900
5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 133310556
1-methyl-4-(6-methyl-4-phenyl-2-pyridinyl)piperazine
CID 11010984
N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 166310950
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole (CID 173148055) is 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole is CN1CCN(c2csnc2-c2ccccc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole?
The InChIKey is GYSDLQDQEVZQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-16-7-9-17(10-8-16)13-11-18-15-14(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole?
4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole has a molecular weight of 259.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-3-phenyl-1,2-thiazole is sourced from PubChem (CID 173148055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).