ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate

C24H25ClN4O4S — CID 15949270

IUPACethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC)c4)cs3)cc2Cl)CC1
InChIInChI=1S/C24H25ClN4O4S/c1-3-33-23(31)15-7-9-29(10-8-15)21-19(25)12-17(13-26-21)22(30)28-24-27-20(14-34-24)16-5-4-6-18(11-16)32-2/h4-6,11-15H,3,7-10H2,1-2H3,(H,27,28,30)
InChIKeyVBYCRGKRYFOYCD-UHFFFAOYSA-N
MW501.01 g/mol
LogP4.90
Rot. Bonds7

About ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate

ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 15949270) has the molecular formula C24H25ClN4O4S and a molecular weight of 501.01 g/mol. Its IUPAC name is ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID15949270
Molecular FormulaC24H25ClN4O4S
Molecular Weight501.01 g/mol
Exact Mass500.13
IUPAC Nameethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC)c4)cs3)cc2Cl)CC1
InChIInChI=1S/C24H25ClN4O4S/c1-3-33-23(31)15-7-9-29(10-8-15)21-19(25)12-17(13-26-21)22(30)28-24-27-20(14-34-24)16-5-4-6-18(11-16)32-2/h4-6,11-15H,3,7-10H2,1-2H3,(H,27,28,30)
InChIKeyVBYCRGKRYFOYCD-UHFFFAOYSA-N
XLogP4.90
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[5-[[4-(3,5-dichloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperidine-4-carboxylate
CID 118630458
1-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 15950162
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
ethyl 1-[3-chloro-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]-4-formylpiperidin-1-ium-1-carboxylate
CID 90868950
ethyl 1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 24593683
ethyl 1-[3-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]sulfonylpiperidine-4-carboxylate
CID 6222542
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 15950163
ethyl 1-[5-[[4-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperidine-4-carboxylate
CID 118619617
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
4-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197395
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate (CID 15949270) is ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC)c4)cs3)cc2Cl)CC1.
What is the InChIKey of ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is VBYCRGKRYFOYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4S/c1-3-33-23(31)15-7-9-29(10-8-15)21-19(25)12-17(13-26-21)22(30)28-24-27-20(14-34-24)16-5-4-6-18(11-16)32-2/h4-6,11-15H,3,7-10H2,1-2H3,(H,27,28,30).
What are the key properties of ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 501.01 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 15949270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).