2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol

C19H22ClN5OS — CID 133493703

IUPAC2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C19H22ClN5OS/c20-16-3-1-14(2-4-16)13-18-22-23-19(27-18)24-9-6-15(7-10-24)17-5-8-21-25(17)11-12-26/h1-5,8,15,26H,6-7,9-13H2
InChIKeyIRESYFCGWKOCMN-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.36
Rot. Bonds6

About 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 133493703) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID133493703
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC Name2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C19H22ClN5OS/c20-16-3-1-14(2-4-16)13-18-22-23-19(27-18)24-9-6-15(7-10-24)17-5-8-21-25(17)11-12-26/h1-5,8,15,26H,6-7,9-13H2
InChIKeyIRESYFCGWKOCMN-UHFFFAOYSA-N
XLogP3.36
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133493700
2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole
CID 133493646
2-[(4-chlorophenyl)methyl]-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 133494277
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 133465816
9-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 133494955
2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133494666
2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 133456570
2-[5-[1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 133280147
1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]propan-2-ol
CID 133495167
1-[4-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 133495099
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122106561
2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110913125

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 133493703) is 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is IRESYFCGWKOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5OS/c20-16-3-1-14(2-4-16)13-18-22-23-19(27-18)24-9-6-15(7-10-24)17-5-8-21-25(17)11-12-26/h1-5,8,15,26H,6-7,9-13H2.
What are the key properties of 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 403.94 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 133493703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).