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

C7H13N3S2 — CID 14601483

IUPAC5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCSc1nnc(NC)s1
InChIInChI=1S/C7H13N3S2/c1-3-4-5-11-7-10-9-6(8-2)12-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyMJKHCAHECCNHPU-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.47
Rot. Bonds5

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

5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 14601483) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID14601483
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCSc1nnc(NC)s1
InChIInChI=1S/C7H13N3S2/c1-3-4-5-11-7-10-9-6(8-2)12-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyMJKHCAHECCNHPU-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 19228550
2-butylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 154361514
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 121029144
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 19114647
N-methyl-5-(nitromethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 131089595
(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethanol
CID 4689343
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19228480
2-benzylsulfanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 40827786
N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 110186338
4-methylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 100574277
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 29270434

Frequently Asked Questions

What is the IUPAC name of 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 14601483) is 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is CCCCSc1nnc(NC)s1.
What is the InChIKey of 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MJKHCAHECCNHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-3-4-5-11-7-10-9-6(8-2)12-7/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 203.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 14601483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).