5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine

C11H19N3OS2 — CID 106495750

IUPAC5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CSCC2CCCO2)s1
InChIInChI=1S/C11H19N3OS2/c1-2-5-12-11-14-13-10(17-11)8-16-7-9-4-3-6-15-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeySQIGGTQYHSWTBI-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.77
Rot. Bonds7

About 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 106495750) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID106495750
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CSCC2CCCO2)s1
InChIInChI=1S/C11H19N3OS2/c1-2-5-12-11-14-13-10(17-11)8-16-7-9-4-3-6-15-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeySQIGGTQYHSWTBI-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole
CID 106493833
5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614568
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 106495744
5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80613661
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
methyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetate
CID 80613950
5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614565
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615228
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 106495750) is 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CSCC2CCCO2)s1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SQIGGTQYHSWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-2-5-12-11-14-13-10(17-11)8-16-7-9-4-3-6-15-9/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 273.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106495750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).