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

C6H11N3S — CID 582182

IUPACN-methyl-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC)n1
InChIInChI=1S/C6H11N3S/c1-3-4-5-8-6(7-2)10-9-5/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyIGSMTEZUEZWSRZ-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.53
Rot. Bonds3

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

N-methyl-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 582182) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-methyl-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID582182
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-methyl-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC)n1
InChIInChI=1S/C6H11N3S/c1-3-4-5-8-6(7-2)10-9-5/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyIGSMTEZUEZWSRZ-UHFFFAOYSA-N
XLogP1.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one
CID 653344
3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
3-Tert-butyl-1,2,4-thiadiazol-5-amine
CID 21688990
3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287031
5-Amino-3-(2-aminopropyl)-1,2,4-thiadiazole
CID 83872911
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-propyl-1,2,4-thiadiazol-5-amine (CID 582182) is N-methyl-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC)n1.
What is the InChIKey of N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IGSMTEZUEZWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-4-5-8-6(7-2)10-9-5/h3-4H2,1-2H3,(H,7,8,9).
What are the key properties of N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
N-methyl-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 157.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 582182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).