ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C20H22ClN3O4S — CID 26266782

IUPACethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc1C
InChIInChI=1S/C20H22ClN3O4S/c1-3-28-19(27)16-12(2)22-20(29-16)23-17(25)14-5-4-10-24(11-14)18(26)13-6-8-15(21)9-7-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,22,23,25)/t14-/m0/s1
InChIKeyPTZFAYBEDPHZJB-AWEZNQCLSA-N
MW435.93 g/mol
LogP3.77
Rot. Bonds5

About ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 26266782) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID26266782
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Nameethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc1C
InChIInChI=1S/C20H22ClN3O4S/c1-3-28-19(27)16-12(2)22-20(29-16)23-17(25)14-5-4-10-24(11-14)18(26)13-6-8-15(21)9-7-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,22,23,25)/t14-/m0/s1
InChIKeyPTZFAYBEDPHZJB-AWEZNQCLSA-N
XLogP3.77
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
1-(4-chlorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51241893
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 24600025
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219
(3S)-1-(4-chlorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide
CID 31245852
ethyl 2-[[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84562852
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
ethyl 2-[(4-chlorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2281451
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 26266782) is ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc1C.
What is the InChIKey of ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PTZFAYBEDPHZJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-3-28-19(27)16-12(2)22-20(29-16)23-17(25)14-5-4-10-24(11-14)18(26)13-6-8-15(21)9-7-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,22,23,25)/t14-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 435.93 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 26266782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).