N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine

C8H15N3S2 — CID 62187560

IUPACN-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSC(C)C
InChIInChI=1S/C8H15N3S2/c1-4-9-8-7(10-11-13-8)5-12-6(2)3/h6,9H,4-5H2,1-3H3
InChIKeyHNUFRJXSKBAFNA-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine

N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine (PubChem CID 62187560) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
PubChem CID62187560
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSC(C)C
InChIInChI=1S/C8H15N3S2/c1-4-9-8-7(10-11-13-8)5-12-6(2)3/h6,9H,4-5H2,1-3H3
InChIKeyHNUFRJXSKBAFNA-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55045090
N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine
CID 55046524
4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55140732
N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176296
N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176297
N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62178560
N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62183441
N-ethyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62183442
4-[[methyl(thiolan-3-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62183443
4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187538
N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
CID 62187539
4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187540

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine (CID 62187560) is N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine is CCNc1snnc1CSC(C)C.
What is the InChIKey of N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine?
The InChIKey is HNUFRJXSKBAFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-4-9-8-7(10-11-13-8)5-12-6(2)3/h6,9H,4-5H2,1-3H3.
What are the key properties of N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine?
N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine has a molecular weight of 217.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62187560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).