N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine

C11H14N4S3 — CID 113298793

IUPACN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ccc(CSc2nnc(SC)s2)cn1
InChIInChI=1S/C11H14N4S3/c1-3-12-9-5-4-8(6-13-9)7-17-11-15-14-10(16-2)18-11/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyCDEZQRHPJZEFHW-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.38
Rot. Bonds6

About N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine

N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 113298793) has the molecular formula C11H14N4S3 and a molecular weight of 298.46 g/mol. Its IUPAC name is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID113298793
Molecular FormulaC11H14N4S3
Molecular Weight298.46 g/mol
Exact Mass298.04
IUPAC NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ccc(CSc2nnc(SC)s2)cn1
InChIInChI=1S/C11H14N4S3/c1-3-12-9-5-4-8(6-13-9)7-17-11-15-14-10(16-2)18-11/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyCDEZQRHPJZEFHW-UHFFFAOYSA-N
XLogP3.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 115383643
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62189614
N-ethyl-5-(pentylsulfanylmethyl)pyridin-2-amine
CID 107756445
N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62188235
2-[4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345292
N-ethyl-5-[(4-ethylphenoxy)methyl]pyridin-2-amine
CID 55044783
N-propyl-5-(pyrimidin-2-ylsulfanylmethyl)pyridin-2-amine
CID 62189823
5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55044942
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 115383909
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 103055112
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 115383635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine (CID 113298793) is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine is CCNc1ccc(CSc2nnc(SC)s2)cn1.
What is the InChIKey of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is CDEZQRHPJZEFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S3/c1-3-12-9-5-4-8(6-13-9)7-17-11-15-14-10(16-2)18-11/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 298.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 113298793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).