5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

C24H26N6OS — CID 133281498

IUPAC5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCN(c3nc(C4CC4)nc4scc(-c5ccccc5)c34)CC2)n1
InChIInChI=1S/C24H26N6OS/c1-15(23-25-16(2)28-31-23)29-10-12-30(13-11-29)22-20-19(17-6-4-3-5-7-17)14-32-24(20)27-21(26-22)18-8-9-18/h3-7,14-15,18H,8-13H2,1-2H3
InChIKeyNMTPZYCZCLPQJV-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.81
Rot. Bonds5

About 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 133281498) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID133281498
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCN(c3nc(C4CC4)nc4scc(-c5ccccc5)c34)CC2)n1
InChIInChI=1S/C24H26N6OS/c1-15(23-25-16(2)28-31-23)29-10-12-30(13-11-29)22-20-19(17-6-4-3-5-7-17)14-32-24(20)27-21(26-22)18-8-9-18/h3-7,14-15,18H,8-13H2,1-2H3
InChIKeyNMTPZYCZCLPQJV-UHFFFAOYSA-N
XLogP4.81
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 133280146
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43069746
2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
CID 133315214
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 71996537
2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053061
4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133279186
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
3-methyl-5-[1-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 133281408
3-phenyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 40897910
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 133281498) is 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C(C)N2CCN(c3nc(C4CC4)nc4scc(-c5ccccc5)c34)CC2)n1.
What is the InChIKey of 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is NMTPZYCZCLPQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-15(23-25-16(2)28-31-23)29-10-12-30(13-11-29)22-20-19(17-6-4-3-5-7-17)14-32-24(20)27-21(26-22)18-8-9-18/h3-7,14-15,18H,8-13H2,1-2H3.
What are the key properties of 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 446.58 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133281498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).