1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate

C12H19N3O2S — CID 67394506

IUPAC1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
SMILESO=C(NCCC1CCNCC1)OCc1cncs1
InChIInChI=1S/C12H19N3O2S/c16-12(17-8-11-7-14-9-18-11)15-6-3-10-1-4-13-5-2-10/h7,9-10,13H,1-6,8H2,(H,15,16)
InChIKeyMNNOXTHDIGSFEE-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.76
Rot. Bonds5

About 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate

1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate (PubChem CID 67394506) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
PubChem CID67394506
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
SMILESO=C(NCCC1CCNCC1)OCc1cncs1
InChIInChI=1S/C12H19N3O2S/c16-12(17-8-11-7-14-9-18-11)15-6-3-10-1-4-13-5-2-10/h7,9-10,13H,1-6,8H2,(H,15,16)
InChIKeyMNNOXTHDIGSFEE-UHFFFAOYSA-N
XLogP1.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 140567344
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
1,3-thiazol-5-ylmethyl N-[4-[2-(methylaminomethylamino)ethylamino]butyl]carbamate
CID 87946961
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 116583454
1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
CID 1488972
2-[piperidin-4-yl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 112641538
1,3-thiazol-5-ylmethyl N-[4-[2-[(2-phenylethylamino)methylamino]ethylamino]butyl]carbamate
CID 87928623
ethyl 2-[1,3-thiazol-5-ylmethoxycarbonyl-[3-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]acetate
CID 25094936
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
CID 142539752
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate (CID 67394506) is 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate is O=C(NCCC1CCNCC1)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate?
The InChIKey is MNNOXTHDIGSFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c16-12(17-8-11-7-14-9-18-11)15-6-3-10-1-4-13-5-2-10/h7,9-10,13H,1-6,8H2,(H,15,16).
What are the key properties of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate?
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate has a molecular weight of 269.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate is sourced from PubChem (CID 67394506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).