6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine

C11H12ClN3S — CID 134890902

IUPAC6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCN(C)C1=NN=CC(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClN3S/c1-15(2)11-14-13-7-10(16-11)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChIKeyQMUNDOVTUOIOBM-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.03
Rot. Bonds1

About 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine

6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 134890902) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID134890902
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCN(C)C1=NN=CC(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClN3S/c1-15(2)11-14-13-7-10(16-11)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChIKeyQMUNDOVTUOIOBM-UHFFFAOYSA-N
XLogP3.03
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.03
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
6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)-
CID 1084009
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
CID 2726362
(E)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
CID 5927702
5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine bromide
CID 45109682
(Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
CID 6375370
5-(4-chlorophenyl)-2-pyrrolidinyl-6H-1,3,4-thiadiazine, bromide
CID 24206977
N,N-dimethyl-6-phenyl-6H-1,3,4-thiadiazin-2-amine
CID 135052689
5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225346
5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
CID 139225347
benzyl N'-(4-chlorobenzylidene)hydrazonothiocarbamate
CID 5576679
methyl (NE)-N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate
CID 9555632

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine (CID 134890902) is 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine is CN(C)C1=NN=CC(c2ccc(Cl)cc2)S1.
What is the InChIKey of 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is QMUNDOVTUOIOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-15(2)11-14-13-7-10(16-11)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 253.76 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 134890902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).