2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine

C12H16N4S2 — CID 79259982

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CSc2nnc(C)s2)c1
InChIInChI=1S/C12H16N4S2/c1-3-5-13-10-4-6-14-11(7-10)8-17-12-16-15-9(2)18-12/h4,6-7H,3,5,8H2,1-2H3,(H,13,14)
InChIKeyJHVZXZDXKBLIHU-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.36
Rot. Bonds6

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine (PubChem CID 79259982) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine
PubChem CID79259982
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CSc2nnc(C)s2)c1
InChIInChI=1S/C12H16N4S2/c1-3-5-13-10-4-6-14-11(7-10)8-17-12-16-15-9(2)18-12/h4,6-7H,3,5,8H2,1-2H3,(H,13,14)
InChIKeyJHVZXZDXKBLIHU-UHFFFAOYSA-N
XLogP3.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63881700
2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine
CID 79259420
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
3-[[4-(propylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79260360
2-methyl-N-propylpyridin-4-amine
CID 79240818
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
N-[1-(3,4-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 64649265
5-[(5-bromo-2-pyridinyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 119041692
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 119047027

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine (CID 79259982) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CSc2nnc(C)s2)c1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
The InChIKey is JHVZXZDXKBLIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-3-5-13-10-4-6-14-11(7-10)8-17-12-16-15-9(2)18-12/h4,6-7H,3,5,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79259982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).