5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine

C14H17ClN4S — CID 139225347

IUPAC5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
SMILESCN1CCN(C2=NN=C(c3ccc(Cl)cc3)CS2)CC1
InChIInChI=1S/C14H17ClN4S/c1-18-6-8-19(9-7-18)14-17-16-13(10-20-14)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyPFHOHVIWJITPKD-UHFFFAOYSA-N
MW308.84 g/mol
LogP2.39
Rot. Bonds1

About 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine

5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine (PubChem CID 139225347) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
PubChem CID139225347
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
SMILESCN1CCN(C2=NN=C(c3ccc(Cl)cc3)CS2)CC1
InChIInChI=1S/C14H17ClN4S/c1-18-6-8-19(9-7-18)14-17-16-13(10-20-14)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyPFHOHVIWJITPKD-UHFFFAOYSA-N
XLogP2.39
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 668278
2-(N-Methyl-piperazino)-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225333
5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine bromide
CID 45109682
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
5-(4-chlorophenyl)-2-pyrrolidinyl-6H-1,3,4-thiadiazine, bromide
CID 24206977
6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
CID 134890902
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225344
5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225346
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225348
2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine;hydrochloride
CID 139225352
2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine
CID 139225353
6H-1,3,4-Thiadiazine, 5-(4-chlorophenyl)-2-(1-piperidyl)-
CID 581800

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine?
The IUPAC name of 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine (CID 139225347) is 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine?
The canonical SMILES for 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine is CN1CCN(C2=NN=C(c3ccc(Cl)cc3)CS2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine?
The InChIKey is PFHOHVIWJITPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-18-6-8-19(9-7-18)14-17-16-13(10-20-14)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine?
5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine has a molecular weight of 308.84 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine is sourced from PubChem (CID 139225347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).