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

C13H11ClN4OS2 — CID 66150064

IUPAC4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(CSc3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C13H11ClN4OS2/c14-8-1-3-10(4-2-8)20-7-11-17-12(19-18-11)5-9-6-21-13(15)16-9/h1-4,6H,5,7H2,(H2,15,16)
InChIKeyRIQXDTSIRTYSDN-UHFFFAOYSA-N
MW338.85 g/mol
LogP3.64
Rot. Bonds5

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

4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 66150064) has the molecular formula C13H11ClN4OS2 and a molecular weight of 338.85 g/mol. Its IUPAC name is 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID66150064
Molecular FormulaC13H11ClN4OS2
Molecular Weight338.85 g/mol
Exact Mass338.01
IUPAC Name4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(CSc3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C13H11ClN4OS2/c14-8-1-3-10(4-2-8)20-7-11-17-12(19-18-11)5-9-6-21-13(15)16-9/h1-4,6H,5,7H2,(H2,15,16)
InChIKeyRIQXDTSIRTYSDN-UHFFFAOYSA-N
XLogP3.64
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-(chloromethyl)-3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 20566316
5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 65417058
4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 63034928
5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799505
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65142179
3-(methylsulfanylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazole
CID 72846179
4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 61261610
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 66151736
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428146
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743037
3,5-bis[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 20566315
4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 103472885

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 66150064) is 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nc(CSc3ccc(Cl)cc3)no2)cs1.
What is the InChIKey of 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is RIQXDTSIRTYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS2/c14-8-1-3-10(4-2-8)20-7-11-17-12(19-18-11)5-9-6-21-13(15)16-9/h1-4,6H,5,7H2,(H2,15,16).
What are the key properties of 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 338.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 66150064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).