2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

C20H27ClN4OS — CID 133494818

IUPAC2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(Nc2nnc(Cc3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C20H27ClN4OS/c21-15-7-5-14(6-8-15)13-19-23-24-20(27-19)22-16-9-11-25(12-10-16)17-3-1-2-4-18(17)26/h5-8,16-18,26H,1-4,9-13H2,(H,22,24)
InChIKeyRCTJEGGBOQQKED-UHFFFAOYSA-N
MW406.98 g/mol
LogP3.96
Rot. Bonds5

About 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133494818) has the molecular formula C20H27ClN4OS and a molecular weight of 406.98 g/mol. Its IUPAC name is 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID133494818
Molecular FormulaC20H27ClN4OS
Molecular Weight406.98 g/mol
Exact Mass406.16
IUPAC Name2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(Nc2nnc(Cc3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C20H27ClN4OS/c21-15-7-5-14(6-8-15)13-19-23-24-20(27-19)22-16-9-11-25(12-10-16)17-3-1-2-4-18(17)26/h5-8,16-18,26H,1-4,9-13H2,(H,22,24)
InChIKeyRCTJEGGBOQQKED-UHFFFAOYSA-N
XLogP3.96
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 6502471
ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
CID 133465975
2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole
CID 133493646
4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexane-1-carboxylic acid
CID 122059917
[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133466368
N-(1-benzylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133458287
5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine
CID 82477350
[1-[[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropyl]methanol
CID 133494058
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648132
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 796709
6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile
CID 133376469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (CID 133494818) is 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CCC(Nc2nnc(Cc3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is RCTJEGGBOQQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4OS/c21-15-7-5-14(6-8-15)13-19-23-24-20(27-19)22-16-9-11-25(12-10-16)17-3-1-2-4-18(17)26/h5-8,16-18,26H,1-4,9-13H2,(H,22,24).
What are the key properties of 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 406.98 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133494818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).