1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C17H19ClN4O2S — CID 4802593

IUPAC1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C17H19ClN4O2S/c1-2-14-20-21-17(25-14)19-15(23)12-4-3-9-22(10-12)16(24)11-5-7-13(18)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,19,21,23)
InChIKeyMKCBHNZPMWDKDH-UHFFFAOYSA-N
MW378.89 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 4802593) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID4802593
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C17H19ClN4O2S/c1-2-14-20-21-17(25-14)19-15(23)12-4-3-9-22(10-12)16(24)11-5-7-13(18)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,19,21,23)
InChIKeyMKCBHNZPMWDKDH-UHFFFAOYSA-N
XLogP3.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
2-chloro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}benzamide
CID 2103737
2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2443348
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16188869
N-(2-chlorobenzyl)-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1398193
4-[4-(4-chlorobenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 4036170
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 664649
4-[4-(4-chlorobenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 4236012
2-chloro-N-[3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 9406669
4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 70681006
N-butyl-4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 70693634
4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-pentylbenzamide
CID 70693635

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 4802593) is 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CCc1nnc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is MKCBHNZPMWDKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-2-14-20-21-17(25-14)19-15(23)12-4-3-9-22(10-12)16(24)11-5-7-13(18)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,19,21,23).
What are the key properties of 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 378.89 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 4802593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).