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

C14H21N3O3S — CID 48590358

IUPACethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc(CC)s2)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-12-15-9-11(21-12)13(18)16-10-5-7-17(8-6-10)14(19)20-4-2/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyIOMFMFTVFCBAMY-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.06
Rot. Bonds4

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

ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 48590358) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID48590358
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc(CC)s2)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-12-15-9-11(21-12)13(18)16-10-5-7-17(8-6-10)14(19)20-4-2/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyIOMFMFTVFCBAMY-UHFFFAOYSA-N
XLogP2.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24644255
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CID 109247316
ethyl 4-[[N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111822029
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CID 2815508
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CID 31844781
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CID 18120666
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
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ethyl 4-[(5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]piperidine-1-carboxylate
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ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46249798
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate (CID 48590358) is ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnc(CC)s2)CC1.
What is the InChIKey of ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is IOMFMFTVFCBAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-12-15-9-11(21-12)13(18)16-10-5-7-17(8-6-10)14(19)20-4-2/h9-10H,3-8H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 48590358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).