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

C10H14N4OS2 — CID 43249999

IUPAC5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESCC(C)Cc1nc(CSc2cnc(N)s2)no1
InChIInChI=1S/C10H14N4OS2/c1-6(2)3-8-13-7(14-15-8)5-16-9-4-12-10(11)17-9/h4,6H,3,5H2,1-2H3,(H2,11,12)
InChIKeySMEYEPNFZHSNGQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.60
Rot. Bonds5

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

5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43249999) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43249999
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESCC(C)Cc1nc(CSc2cnc(N)s2)no1
InChIInChI=1S/C10H14N4OS2/c1-6(2)3-8-13-7(14-15-8)5-16-9-4-12-10(11)17-9/h4,6H,3,5H2,1-2H3,(H2,11,12)
InChIKeySMEYEPNFZHSNGQ-UHFFFAOYSA-N
XLogP2.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782690
5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250000
4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43299191
4-methyl-3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 79141159
4-methyl-2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 79143230
5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 28782682
3-bromo-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 82841022
3-chloro-2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43304587
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24706770
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249524
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249825

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine (CID 43249999) is 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine is CC(C)Cc1nc(CSc2cnc(N)s2)no1.
What is the InChIKey of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is SMEYEPNFZHSNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-6(2)3-8-13-7(14-15-8)5-16-9-4-12-10(11)17-9/h4,6H,3,5H2,1-2H3,(H2,11,12).
What are the key properties of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine?
5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43249999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).