3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole

C12H12N4OS — CID 71876889

IUPAC3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c2sc(-c3nc(C4CC4)no3)cc12
InChIInChI=1S/C12H12N4OS/c1-6-8-5-9(18-12(8)16(2)14-6)11-13-10(15-17-11)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyDDIDDMOOLRTPLN-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.87
Rot. Bonds2

About 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 71876889) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID71876889
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c2sc(-c3nc(C4CC4)no3)cc12
InChIInChI=1S/C12H12N4OS/c1-6-8-5-9(18-12(8)16(2)14-6)11-13-10(15-17-11)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyDDIDDMOOLRTPLN-UHFFFAOYSA-N
XLogP2.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,5-dibromothiophen-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 80538814
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylthieno[2,3-d][1,3]thiazol-2-amine
CID 167839795
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
CID 43100925
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 65395546
5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65402043
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 50789471
(4S)-1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746330
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453309
3-cyclopentyl-5-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazole
CID 167811218
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18134966
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 97313694

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole (CID 71876889) is 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole is Cc1nn(C)c2sc(-c3nc(C4CC4)no3)cc12.
What is the InChIKey of 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is DDIDDMOOLRTPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-6-8-5-9(18-12(8)16(2)14-6)11-13-10(15-17-11)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 260.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71876889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).