ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate

C16H25N3O3S — CID 86922889

IUPACethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C16H25N3O3S/c1-5-22-15(21)19-8-6-7-11(9-19)13(20)18-14-17-12(10-23-14)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,18,20)
InChIKeyCCIRNRLLROFZMS-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.25
Rot. Bonds3

About ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate

ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 86922889) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID86922889
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Nameethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C16H25N3O3S/c1-5-22-15(21)19-8-6-7-11(9-19)13(20)18-14-17-12(10-23-14)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,18,20)
InChIKeyCCIRNRLLROFZMS-UHFFFAOYSA-N
XLogP3.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 124569159
ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 42948294
tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55503858
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 51653163
1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51090788
benzyl (2R)-2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 24739662
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate (CID 86922889) is ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)Nc2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is CCIRNRLLROFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-5-22-15(21)19-8-6-7-11(9-19)13(20)18-14-17-12(10-23-14)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,18,20).
What are the key properties of ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 86922889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).