5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H15ClN4S2 — CID 102669150

IUPAC5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2ccc(CN)cc2Cl)s1
InChIInChI=1S/C12H15ClN4S2/c1-17(2)11-15-16-12(19-11)18-7-9-4-3-8(6-14)5-10(9)13/h3-5H,6-7,14H2,1-2H3
InChIKeyLMMSRZFVTJSUNO-UHFFFAOYSA-N
MW314.87 g/mol
LogP3.01
Rot. Bonds5

About 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 102669150) has the molecular formula C12H15ClN4S2 and a molecular weight of 314.87 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID102669150
Molecular FormulaC12H15ClN4S2
Molecular Weight314.87 g/mol
Exact Mass314.04
IUPAC Name5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2ccc(CN)cc2Cl)s1
InChIInChI=1S/C12H15ClN4S2/c1-17(2)11-15-16-12(19-11)18-7-9-4-3-8(6-14)5-10(9)13/h3-5H,6-7,14H2,1-2H3
InChIKeyLMMSRZFVTJSUNO-UHFFFAOYSA-N
XLogP3.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

[3-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 102669160
5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 104514387
[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 102669136
5-[3-[4-(aminomethyl)phenoxy]propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736966
5-[[2-methoxy-5-(methylaminomethyl)phenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64611286
[3-chloro-4-[(3,4-dimethylphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669115
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
CID 63736840
[3-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669110
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluorobenzonitrile
CID 103760325
3-[4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 63737154
5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 81305407
5-[[4-(aminomethyl)-6-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114769899

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 102669150) is 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCc2ccc(CN)cc2Cl)s1.
What is the InChIKey of 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LMMSRZFVTJSUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S2/c1-17(2)11-15-16-12(19-11)18-7-9-4-3-8(6-14)5-10(9)13/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 314.87 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)-2-chlorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102669150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).