5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

C5H9N3S2 — CID 6453071

IUPAC5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(NC)s1
InChIInChI=1S/C5H9N3S2/c1-3-9-5-8-7-4(6-2)10-5/h3H2,1-2H3,(H,6,7)
InChIKeyTVHNTVGLNZZCBS-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.69
Rot. Bonds3

About 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 6453071) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID6453071
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC Name5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(NC)s1
InChIInChI=1S/C5H9N3S2/c1-3-9-5-8-7-4(6-2)10-5/h3H2,1-2H3,(H,6,7)
InChIKeyTVHNTVGLNZZCBS-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
N-methyl-5-(nitromethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 131089595
3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 154417531
N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 110186338
[2-hydroxy-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]-trimethylazanium chloride
CID 110190376
N-(3,4-dimethylphenyl)-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2652407
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 71672657
1-amino-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119674558
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 71901728
trans-(1S,2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 2111712
5-[(3,4-dichlorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 27789001
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 6453071) is 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is CCSc1nnc(NC)s1.
What is the InChIKey of 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is TVHNTVGLNZZCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-3-9-5-8-7-4(6-2)10-5/h3H2,1-2H3,(H,6,7).
What are the key properties of 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 175.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6453071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).