5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine

C9H8ClN3S — CID 1084009

IUPAC5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccc(Cl)cc2)CS1
InChIInChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13)
InChIKeyGIAOPTGPMKOUOK-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.11
Rot. Bonds1

About 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine

5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine (PubChem CID 1084009) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine
PubChem CID1084009
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccc(Cl)cc2)CS1
InChIInChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13)
InChIKeyGIAOPTGPMKOUOK-UHFFFAOYSA-N
XLogP2.11
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

p-Chlorobenzylpseudothiuronium chloride
CID 68342
4-Chlorobenzyl carbamimidothioate
CID 68343
N-tert-butyl-5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine
CID 135472964
But-3-enyl-(5-(4-chloro-phenyl)-3,6-dihydro-(1,3,4)thiadiazin-2-ylidene)-amine
CID 135521746
N-allyl-5-(4-chlorophenyl)-6h-1,3,4-thiadiazin-2-amine
CID 135440577
2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
CID 5357086
2-[(Z)-[(E)-3-(4-chlorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52947624
2-[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine
CID 9573029
5-phenyl-6H-1,3,4-thiadiazin-2-amine
CID 667837
{[2-(4-Chlorophenyl)ethyl]sulfanyl}methanimidamide
CID 18314043
S-(4-Chlorobenzyl)Isothiouronium chloride
CID 2723828
5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 668278

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine (CID 1084009) is 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine is NC1=NN=C(c2ccc(Cl)cc2)CS1.
What is the InChIKey of 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is GIAOPTGPMKOUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine?
5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 225.70 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 1084009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).