5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine

C9H15N3OS2 — CID 80613661

IUPAC5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CSC2COC2)s1
InChIInChI=1S/C9H15N3OS2/c1-2-3-10-9-12-11-8(15-9)6-14-7-4-13-5-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyNUCSSODROBUIMP-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.99
Rot. Bonds6

About 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80613661) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80613661
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CSC2COC2)s1
InChIInChI=1S/C9H15N3OS2/c1-2-3-10-9-12-11-8(15-9)6-14-7-4-13-5-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyNUCSSODROBUIMP-UHFFFAOYSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80613563
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106495750
N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130693454
methyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetate
CID 80613950
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614268
5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614565
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606715
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614644
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 80613661) is 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CSC2COC2)s1.
What is the InChIKey of 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NUCSSODROBUIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-2-3-10-9-12-11-8(15-9)6-14-7-4-13-5-7/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).