5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine

C14H17N3S — CID 139225341

IUPAC5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
SMILESCc1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C14H17N3S/c1-11-4-6-12(7-5-11)13-10-18-14(16-15-13)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3
InChIKeyQLIDFEOCVYVCQW-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.90
Rot. Bonds1

About 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine

5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine (PubChem CID 139225341) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
PubChem CID139225341
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
SMILESCc1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C14H17N3S/c1-11-4-6-12(7-5-11)13-10-18-14(16-15-13)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3
InChIKeyQLIDFEOCVYVCQW-UHFFFAOYSA-N
XLogP2.90
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 668278
2-Piperidino-5-(4-fluorphenyl)-6H-1,3,4-thiadiazine
CID 139225331
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225339
5-phenyl-2-pyrrolidinyl-6H-1,3,4-thiadiazine
CID 15171029
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
N,N-dimethyl-5,6-diphenyl-6H-1,3,4-thiadiazin-2-amine
CID 12332475
2-Thiomorpholin-4-yl-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 129870331
5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225335
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225337
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225338
5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride
CID 139225340
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225344

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The IUPAC name of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine (CID 139225341) is 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The canonical SMILES for 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine is Cc1ccc(C2=NN=C(N3CCCC3)SC2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The InChIKey is QLIDFEOCVYVCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-4-6-12(7-5-11)13-10-18-14(16-15-13)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine has a molecular weight of 259.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 139225341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).