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

C6H11N3S2 — CID 21400059

IUPACN-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(NC)s1
InChIInChI=1S/C6H11N3S2/c1-3-4-10-6-9-8-5(7-2)11-6/h3-4H2,1-2H3,(H,7,8)
InChIKeyXWQLAVWSEXIETQ-UHFFFAOYSA-N
MW189.31 g/mol
LogP2.08
Rot. Bonds4

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

N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 21400059) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID21400059
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC NameN-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(NC)s1
InChIInChI=1S/C6H11N3S2/c1-3-4-10-6-9-8-5(7-2)11-6/h3-4H2,1-2H3,(H,7,8)
InChIKeyXWQLAVWSEXIETQ-UHFFFAOYSA-N
XLogP2.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (CID 21400059) is N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is CCCSc1nnc(NC)s1.
What is the InChIKey of N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XWQLAVWSEXIETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-3-4-10-6-9-8-5(7-2)11-6/h3-4H2,1-2H3,(H,7,8).
What are the key properties of N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 189.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 21400059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).