1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C13H16Cl2N4O2S — CID 51118916

IUPAC1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC1(C(=O)N2CCCC(C(=O)Nc3nncs3)C2)CC1(Cl)Cl
InChIInChI=1S/C13H16Cl2N4O2S/c1-12(6-13(12,14)15)10(21)19-4-2-3-8(5-19)9(20)17-11-18-16-7-22-11/h7-8H,2-6H2,1H3,(H,17,18,20)
InChIKeyIQEHMLIJIJECMM-UHFFFAOYSA-N
MW363.27 g/mol
LogP2.30
Rot. Bonds3

About 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51118916) has the molecular formula C13H16Cl2N4O2S and a molecular weight of 363.27 g/mol. Its IUPAC name is 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID51118916
Molecular FormulaC13H16Cl2N4O2S
Molecular Weight363.27 g/mol
Exact Mass362.04
IUPAC Name1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC1(C(=O)N2CCCC(C(=O)Nc3nncs3)C2)CC1(Cl)Cl
InChIInChI=1S/C13H16Cl2N4O2S/c1-12(6-13(12,14)15)10(21)19-4-2-3-8(5-19)9(20)17-11-18-16-7-22-11/h7-8H,2-6H2,1H3,(H,17,18,20)
InChIKeyIQEHMLIJIJECMM-UHFFFAOYSA-N
XLogP2.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 60556816
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47050306
1-N-(oxolan-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 56807058
(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 95636192
(3R)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 98723373
1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
(3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962716
3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 94194613
1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47049895
1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523241

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 51118916) is 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CC1(C(=O)N2CCCC(C(=O)Nc3nncs3)C2)CC1(Cl)Cl.
What is the InChIKey of 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is IQEHMLIJIJECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O2S/c1-12(6-13(12,14)15)10(21)19-4-2-3-8(5-19)9(20)17-11-18-16-7-22-11/h7-8H,2-6H2,1H3,(H,17,18,20).
What are the key properties of 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 363.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51118916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).