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

C8H15N3S2 — CID 62187901

IUPAC4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine
SMILESCCCCSCc1nnsc1NC
InChIInChI=1S/C8H15N3S2/c1-3-4-5-12-6-7-8(9-2)13-11-10-7/h9H,3-6H2,1-2H3
InChIKeyHOTYZMTWRCTSQB-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.61
Rot. Bonds6

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

4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine (PubChem CID 62187901) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine
PubChem CID62187901
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC Name4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine
SMILESCCCCSCc1nnsc1NC
InChIInChI=1S/C8H15N3S2/c1-3-4-5-12-6-7-8(9-2)13-11-10-7/h9H,3-6H2,1-2H3
InChIKeyHOTYZMTWRCTSQB-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine?
The IUPAC name of 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine (CID 62187901) is 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine is CCCCSCc1nnsc1NC.
What is the InChIKey of 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine?
The InChIKey is HOTYZMTWRCTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-3-4-5-12-6-7-8(9-2)13-11-10-7/h9H,3-6H2,1-2H3.
What are the key properties of 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine?
4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine has a molecular weight of 217.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62187901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).