N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide

C25H27ClN4OS — CID 3936545

IUPACN-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1)C1CC1c1ccccc1
InChIInChI=1S/C25H27ClN4OS/c26-20-8-6-17(7-9-20)14-23-28-25(32-29-23)30-12-10-18(11-13-30)16-27-24(31)22-15-21(22)19-4-2-1-3-5-19/h1-9,18,21-22H,10-16H2,(H,27,31)
InChIKeyRYNPVHFDOIDRQE-UHFFFAOYSA-N
MW467.04 g/mol
LogP4.92
Rot. Bonds7

About N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide

N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 3936545) has the molecular formula C25H27ClN4OS and a molecular weight of 467.04 g/mol. Its IUPAC name is N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID3936545
Molecular FormulaC25H27ClN4OS
Molecular Weight467.04 g/mol
Exact Mass466.16
IUPAC NameN-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1)C1CC1c1ccccc1
InChIInChI=1S/C25H27ClN4OS/c26-20-8-6-17(7-9-20)14-23-28-25(32-29-23)30-12-10-18(11-13-30)16-27-24(31)22-15-21(22)19-4-2-1-3-5-19/h1-9,18,21-22H,10-16H2,(H,27,31)
InChIKeyRYNPVHFDOIDRQE-UHFFFAOYSA-N
XLogP4.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.04
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 3898507
4-chloro-N-[[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]benzamide
CID 3986939
2-(4-chlorophenoxy)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide
CID 3482693
N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-phenoxyacetamide
CID 4675539
1-(2,4-dichlorophenyl)-3-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]urea
CID 3944945
3-chloro-N-[[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]benzamide
CID 5197010
N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-4-phenylbenzamide
CID 5026608
1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1,2-diphenylethyl)piperidine-4-carboxamide
CID 4309589
1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 5155000
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
N-benzyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazine-1-carboxamide
CID 3416480
1-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-3-(2,3-dimethylphenyl)urea
CID 3544232

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide (CID 3936545) is N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCC1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1)C1CC1c1ccccc1.
What is the InChIKey of N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is RYNPVHFDOIDRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4OS/c26-20-8-6-17(7-9-20)14-23-28-25(32-29-23)30-12-10-18(11-13-30)16-27-24(31)22-15-21(22)19-4-2-1-3-5-19/h1-9,18,21-22H,10-16H2,(H,27,31).
What are the key properties of N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 467.04 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3936545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).