4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine

C9H17N3S2 — CID 62187902

IUPAC4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCCCSCc1nnsc1NCC
InChIInChI=1S/C9H17N3S2/c1-3-5-6-13-7-8-9(10-4-2)14-12-11-8/h10H,3-7H2,1-2H3
InChIKeyMTRVPOZXASLDGS-UHFFFAOYSA-N
MW231.39 g/mol
LogP3.00
Rot. Bonds7

About 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine

4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine (PubChem CID 62187902) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine
PubChem CID62187902
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCCCSCc1nnsc1NCC
InChIInChI=1S/C9H17N3S2/c1-3-5-6-13-7-8-9(10-4-2)14-12-11-8/h10H,3-7H2,1-2H3
InChIKeyMTRVPOZXASLDGS-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine (CID 62187902) is 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine is CCCCSCc1nnsc1NCC.
What is the InChIKey of 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The InChIKey is MTRVPOZXASLDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-3-5-6-13-7-8-9(10-4-2)14-12-11-8/h10H,3-7H2,1-2H3.
What are the key properties of 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine has a molecular weight of 231.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62187902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).