3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C7H13N3S2 — CID 83380818

IUPAC3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCSc1nsc(NC(C)C)n1
InChIInChI=1S/C7H13N3S2/c1-4-11-7-9-6(12-10-7)8-5(2)3/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyVASWDFTYOOUADC-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.47
Rot. Bonds4

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

3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 83380818) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID83380818
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCSc1nsc(NC(C)C)n1
InChIInChI=1S/C7H13N3S2/c1-4-11-7-9-6(12-10-7)8-5(2)3/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyVASWDFTYOOUADC-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-[3-(1,2,4-thiadiazol-3-ylsulfanyl)propyl]thiourea
CID 20557789
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163
5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279423
3-chloro-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 166974998
3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268763
3-(ethylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269111
N-(3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273706
N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 65274565
5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278792
5-N-(3-methylsulfanylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278793
5-N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278794
5-N-butan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279643

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 83380818) is 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CCSc1nsc(NC(C)C)n1.
What is the InChIKey of 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is VASWDFTYOOUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-4-11-7-9-6(12-10-7)8-5(2)3/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 203.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 83380818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).