2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C19H26N4OS — CID 53323112

IUPAC2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCOc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C19H26N4OS/c1-24-17-8-4-3-7-16(17)18-20-21-19(25-18)23-13-9-15(10-14-23)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyDOSSKZRHSMXORN-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 53323112) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID53323112
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCOc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C19H26N4OS/c1-24-17-8-4-3-7-16(17)18-20-21-19(25-18)23-13-9-15(10-14-23)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyDOSSKZRHSMXORN-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 2174397
2-(4-Methoxyphenyl)-5-(4-(pyrrolidin-1-yl)piperidin-1-yl)-1,3,4-thiadiazole
CID 45377353
2-(1,4''-Bipiperidin-1''-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53317859
2-(1,4''-Bipiperidin-1''-yl)-5-(3-methoxyphenyl)-1,3,4-thiadiazole
CID 53318961
2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53320490
2-(4-Ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53324466
2-(4-Cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53325778
4-[3-Methoxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one
CID 90282424
3-Methoxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 90282488
2-(3-Chloro-5-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 51003381
2-(3,5-Dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53320489
3-Methoxy-5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 53323110

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 53323112) is 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is COc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is DOSSKZRHSMXORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-24-17-8-4-3-7-16(17)18-20-21-19(25-18)23-13-9-15(10-14-23)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-14H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 358.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 53323112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).