5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C10H18N4OS — CID 106963272

IUPAC5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCC2CCCCS2)o1
InChIInChI=1S/C10H18N4OS/c1-11-7-9-13-14-10(15-9)12-6-8-4-2-3-5-16-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyHCTDHMLANPMLPL-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.49
Rot. Bonds5

About 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963272) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963272
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCC2CCCCS2)o1
InChIInChI=1S/C10H18N4OS/c1-11-7-9-13-14-10(15-9)12-6-8-4-2-3-5-16-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyHCTDHMLANPMLPL-UHFFFAOYSA-N
XLogP1.49
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421558
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963106
N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride
CID 154917662
6-chloro-4-N-methyl-2-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852504
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-(methylaminomethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106961401
2,3,4,5,6-pentafluoro-N-(thian-2-ylmethyl)aniline
CID 80612576
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106963272) is 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NCC2CCCCS2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HCTDHMLANPMLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-11-7-9-13-14-10(15-9)12-6-8-4-2-3-5-16-8/h8,11H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 242.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).