1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate

C19H22F2N2O4S — CID 67380567

IUPAC1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCC(CCOc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H22F2N2O4S/c20-18(21)27-16-3-1-15(2-4-16)25-10-7-14-5-8-23(9-6-14)19(24)26-12-17-11-22-13-28-17/h1-4,11,13-14,18H,5-10,12H2
InChIKeyFQZKUDNKFLAFFR-UHFFFAOYSA-N
MW412.46 g/mol
LogP4.56
Rot. Bonds8

About 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate

1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate (PubChem CID 67380567) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate
PubChem CID67380567
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCC(CCOc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H22F2N2O4S/c20-18(21)27-16-3-1-15(2-4-16)25-10-7-14-5-8-23(9-6-14)19(24)26-12-17-11-22-13-28-17/h1-4,11,13-14,18H,5-10,12H2
InChIKeyFQZKUDNKFLAFFR-UHFFFAOYSA-N
XLogP4.56
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate (CID 67380567) is 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate is O=C(OCc1cncs1)N1CCC(CCOc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate?
The InChIKey is FQZKUDNKFLAFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c20-18(21)27-16-3-1-15(2-4-16)25-10-7-14-5-8-23(9-6-14)19(24)26-12-17-11-22-13-28-17/h1-4,11,13-14,18H,5-10,12H2.
What are the key properties of 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate?
1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate has a molecular weight of 412.46 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 4-[2-[4-(difluoromethoxy)phenoxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67380567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).