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

C14H18ClN3S — CID 139225340

IUPAC5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride
SMILESCc1ccc(C2=NN=C(N3CCCC3)SC2)cc1.Cl
InChIInChI=1S/C14H17N3S.ClH/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;1H
InChIKeyJHZRGGUKCPFTPU-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.32
Rot. Bonds1

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

5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride (PubChem CID 139225340) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride
PubChem CID139225340
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride
SMILESCc1ccc(C2=NN=C(N3CCCC3)SC2)cc1.Cl
InChIInChI=1S/C14H17N3S.ClH/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;1H
InChIKeyJHZRGGUKCPFTPU-UHFFFAOYSA-N
XLogP3.32
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.32
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-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine bromide
CID 45109682
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
5-(4-chlorophenyl)-2-pyrrolidinyl-6H-1,3,4-thiadiazine, bromide
CID 24206977
5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225335
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
CID 139225341
5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225356

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride?
The IUPAC name of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride (CID 139225340) is 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride.
What is the SMILES notation for 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride?
The canonical SMILES for 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride is Cc1ccc(C2=NN=C(N3CCCC3)SC2)cc1.Cl.
What is the InChIKey of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride?
The InChIKey is JHZRGGUKCPFTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S.ClH/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;1H.
What are the key properties of 5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride?
5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 3.32, 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;hydrochloride is sourced from PubChem (CID 139225340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).