4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

C14H19ClN4S — CID 62183869

IUPAC4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN4S/c1-3-7-16-14-13(17-18-20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8,16H,3,7,9-10H2,1-2H3
InChIKeyAILNINKRLYYFLB-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.65
Rot. Bonds7

About 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62183869) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62183869
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN4S/c1-3-7-16-14-13(17-18-20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8,16H,3,7,9-10H2,1-2H3
InChIKeyAILNINKRLYYFLB-UHFFFAOYSA-N
XLogP3.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184109
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62890794
4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
CID 62182091
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 63966703
4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
CID 65125240
4-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62981588

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (CID 62183869) is 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is AILNINKRLYYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-3-7-16-14-13(17-18-20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8,16H,3,7,9-10H2,1-2H3.
What are the key properties of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 310.85 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62183869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).