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

C12H20ClN3O2S — CID 67394505

IUPAC1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride
SMILESCl.O=C(NCCC1CCNCC1)OCc1cncs1
InChIInChI=1S/C12H19N3O2S.ClH/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);1H
InChIKeyLZHZBLIXHNMKKN-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.18
Rot. Bonds5

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

1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride (PubChem CID 67394505) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride
PubChem CID67394505
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride
SMILESCl.O=C(NCCC1CCNCC1)OCc1cncs1
InChIInChI=1S/C12H19N3O2S.ClH/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);1H
InChIKeyLZHZBLIXHNMKKN-UHFFFAOYSA-N
XLogP2.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride (CID 67394505) is 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride is Cl.O=C(NCCC1CCNCC1)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride?
The InChIKey is LZHZBLIXHNMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/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);1H.
What are the key properties of 1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride?
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 2.18, 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;hydrochloride is sourced from PubChem (CID 67394505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).