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

C15H23N3O3S — CID 47016276

IUPACtert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1csc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H23N3O3S/c1-10-9-22-13(16-10)17-12(19)11-6-5-7-18(8-11)14(20)21-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyTXQWSTINISPHHQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.04
Rot. Bonds2

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

tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 47016276) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID47016276
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nametert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1csc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H23N3O3S/c1-10-9-22-13(16-10)17-12(19)11-6-5-7-18(8-11)14(20)21-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyTXQWSTINISPHHQ-UHFFFAOYSA-N
XLogP3.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 47017638
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55503858
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51090788
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
tert-butyl 3-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55468277
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate (CID 47016276) is tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate is Cc1csc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is TXQWSTINISPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-9-22-13(16-10)17-12(19)11-6-5-7-18(8-11)14(20)21-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,16,17,19).
What are the key properties of tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 47016276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).