(4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

C18H19N3O5S — CID 146242125

IUPAC(4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(C(=O)Oc3ccc(C(N)=O)cc3)s2)CC1
InChIInChI=1S/C18H19N3O5S/c1-25-16(23)12-6-8-21(9-7-12)18-20-10-14(27-18)17(24)26-13-4-2-11(3-5-13)15(19)22/h2-5,10,12H,6-9H2,1H3,(H2,19,22)
InChIKeyLOXVHYNACAEZAQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.85
Rot. Bonds5

About (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

(4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 146242125) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID146242125
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name(4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(C(=O)Oc3ccc(C(N)=O)cc3)s2)CC1
InChIInChI=1S/C18H19N3O5S/c1-25-16(23)12-6-8-21(9-7-12)18-20-10-14(27-18)17(24)26-13-4-2-11(3-5-13)15(19)22/h2-5,10,12H,6-9H2,1H3,(H2,19,22)
InChIKeyLOXVHYNACAEZAQ-UHFFFAOYSA-N
XLogP1.85
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-carbamimidoylphenyl) 2-[4-[(3-methoxy-3-oxopropyl)carbamoyl]piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 155681211
(4-carbamimidoyl-2-fluorophenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate;2,2,2-trifluoroacetic acid
CID 161373997
(4-carbamimidoylphenyl) 2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidin-1-yl]-1,3-thiazole-5-carboxylate;2,2,2-trifluoroacetic acid
CID 162325325
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571616
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
CID 80571882
methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
methyl 2-(4-tert-butylazepan-1-yl)-1,3-thiazole-5-carboxylate
CID 80572894
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955
methyl 1-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 108773415
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (CID 146242125) is (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)C1CCN(c2ncc(C(=O)Oc3ccc(C(N)=O)cc3)s2)CC1.
What is the InChIKey of (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is LOXVHYNACAEZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-25-16(23)12-6-8-21(9-7-12)18-20-10-14(27-18)17(24)26-13-4-2-11(3-5-13)15(19)22/h2-5,10,12H,6-9H2,1H3,(H2,19,22).
What are the key properties of (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
(4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 146242125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).