1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate

C21H23N3O3S — CID 67325747

IUPAC1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
SMILESO=C(OCc1cscn1)N1CCC(CCOc2ccc3ncccc3c2)CC1
InChIInChI=1S/C21H23N3O3S/c25-21(27-13-18-14-28-15-23-18)24-9-5-16(6-10-24)7-11-26-19-3-4-20-17(12-19)2-1-8-22-20/h1-4,8,12,14-16H,5-7,9-11,13H2
InChIKeyDMGHSVJCARXGLL-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.51
Rot. Bonds6

About 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate

1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate (PubChem CID 67325747) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
PubChem CID67325747
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
SMILESO=C(OCc1cscn1)N1CCC(CCOc2ccc3ncccc3c2)CC1
InChIInChI=1S/C21H23N3O3S/c25-21(27-13-18-14-28-15-23-18)24-9-5-16(6-10-24)7-11-26-19-3-4-20-17(12-19)2-1-8-22-20/h1-4,8,12,14-16H,5-7,9-11,13H2
InChIKeyDMGHSVJCARXGLL-UHFFFAOYSA-N
XLogP4.51
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate (CID 67325747) is 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate is O=C(OCc1cscn1)N1CCC(CCOc2ccc3ncccc3c2)CC1.
What is the InChIKey of 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate?
The InChIKey is DMGHSVJCARXGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-21(27-13-18-14-28-15-23-18)24-9-5-16(6-10-24)7-11-26-19-3-4-20-17(12-19)2-1-8-22-20/h1-4,8,12,14-16H,5-7,9-11,13H2.
What are the key properties of 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate?
1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 67325747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).