5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine

C11H16N4OS2 — CID 43250473

IUPAC5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCc1noc(CSc2sc(N)nc2C)n1
InChIInChI=1S/C11H16N4OS2/c1-3-4-5-8-14-9(16-15-8)6-17-10-7(2)13-11(12)18-10/h3-6H2,1-2H3,(H2,12,13)
InChIKeyYWAIEAQHLKTYAA-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.05
Rot. Bonds6

About 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine

5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43250473) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43250473
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC Name5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCc1noc(CSc2sc(N)nc2C)n1
InChIInChI=1S/C11H16N4OS2/c1-3-4-5-8-14-9(16-15-8)6-17-10-7(2)13-11(12)18-10/h3-6H2,1-2H3,(H2,12,13)
InChIKeyYWAIEAQHLKTYAA-UHFFFAOYSA-N
XLogP3.05
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43249039
4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
CID 43129559
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 29006653
6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 43301137
2-[[5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46529933
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 43299740
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-fluoroaniline
CID 79141031
4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 62698614
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 61483393
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 30469751
4-methyl-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79141342

Frequently Asked Questions

What is the IUPAC name of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 43250473) is 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is CCCCc1noc(CSc2sc(N)nc2C)n1.
What is the InChIKey of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YWAIEAQHLKTYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-3-4-5-8-14-9(16-15-8)6-17-10-7(2)13-11(12)18-10/h3-6H2,1-2H3,(H2,12,13).
What are the key properties of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 284.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43250473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).