N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine

C10H15N5OS2 — CID 75434086

IUPACN,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1noc(C(C)SCc2nsc(N(C)C)n2)n1
InChIInChI=1S/C10H15N5OS2/c1-6(9-11-7(2)13-16-9)17-5-8-12-10(15(3)4)18-14-8/h6H,5H2,1-4H3
InChIKeyZZNVOLCYVTYDAR-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.29
Rot. Bonds5

About N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine

N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 75434086) has the molecular formula C10H15N5OS2 and a molecular weight of 285.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine
PubChem CID75434086
Molecular FormulaC10H15N5OS2
Molecular Weight285.40 g/mol
Exact Mass285.07
IUPAC NameN,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1noc(C(C)SCc2nsc(N(C)C)n2)n1
InChIInChI=1S/C10H15N5OS2/c1-6(9-11-7(2)13-16-9)17-5-8-12-10(15(3)4)18-14-8/h6H,5H2,1-4H3
InChIKeyZZNVOLCYVTYDAR-UHFFFAOYSA-N
XLogP2.29
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 95579086
5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75399493
5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 60540937
6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 47065431
3-methoxy-4-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]benzonitrile
CID 97331065
5-[(1R)-1-[(5-ethoxy-2-pyridinyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 97228289
5-[(1S)-1-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95761662
6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 94644518
3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 75399494
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
CID 51088829
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine (CID 75434086) is N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine is Cc1noc(C(C)SCc2nsc(N(C)C)n2)n1.
What is the InChIKey of N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZZNVOLCYVTYDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS2/c1-6(9-11-7(2)13-16-9)17-5-8-12-10(15(3)4)18-14-8/h6H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 285.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75434086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).