5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole

C14H15N3OS2 — CID 86905006

IUPAC5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1nc(CC(C)C)sc1-c1nc(-c2ccsc2)no1
InChIInChI=1S/C14H15N3OS2/c1-8(2)6-11-15-9(3)12(20-11)14-16-13(17-18-14)10-4-5-19-7-10/h4-5,7-8H,6H2,1-3H3
InChIKeyJOWBORCLDWGDRO-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.43
Rot. Bonds4

About 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 86905006) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID86905006
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1nc(CC(C)C)sc1-c1nc(-c2ccsc2)no1
InChIInChI=1S/C14H15N3OS2/c1-8(2)6-11-15-9(3)12(20-11)14-16-13(17-18-14)10-4-5-19-7-10/h4-5,7-8H,6H2,1-3H3
InChIKeyJOWBORCLDWGDRO-UHFFFAOYSA-N
XLogP4.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 76150372
5-(4-Methyl-1,3-thiazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 72019864
(3-Thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 17448102
(3-Methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 18166449
2-(2,4-Dimethyl-1,3-thiazol-5-yl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 25669059
4-Methyl-5-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 29153697
(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 30591858
2-methyl-N-[(2Z)-4-methyl-5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2(3H)-ylidene]propanamide
CID 39336923
3-methyl-N-[(2Z)-4-methyl-5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2(3H)-ylidene]butanamide
CID 39341500
4-Methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250470
4-Methyl-5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 46299748
3-[(4-Methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 47150485

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 86905006) is 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is Cc1nc(CC(C)C)sc1-c1nc(-c2ccsc2)no1.
What is the InChIKey of 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is JOWBORCLDWGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-8(2)6-11-15-9(3)12(20-11)14-16-13(17-18-14)10-4-5-19-7-10/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 305.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86905006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).