1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C24H25N5O2S — CID 140567344

IUPAC1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESN#Cc1ccc(-c2ccc(N3CCC(CCNC(=O)OCc4cncs4)CC3)nc2)cc1
InChIInChI=1S/C24H25N5O2S/c25-13-19-1-3-20(4-2-19)21-5-6-23(28-14-21)29-11-8-18(9-12-29)7-10-27-24(30)31-16-22-15-26-17-32-22/h1-6,14-15,17-18H,7-12,16H2,(H,27,30)
InChIKeyUUPCSCPYZPHDAM-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.61
Rot. Bonds7

About 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 140567344) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID140567344
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESN#Cc1ccc(-c2ccc(N3CCC(CCNC(=O)OCc4cncs4)CC3)nc2)cc1
InChIInChI=1S/C24H25N5O2S/c25-13-19-1-3-20(4-2-19)21-5-6-23(28-14-21)29-11-8-18(9-12-29)7-10-27-24(30)31-16-22-15-26-17-32-22/h1-6,14-15,17-18H,7-12,16H2,(H,27,30)
InChIKeyUUPCSCPYZPHDAM-UHFFFAOYSA-N
XLogP4.61
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 140567344) is 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is N#Cc1ccc(-c2ccc(N3CCC(CCNC(=O)OCc4cncs4)CC3)nc2)cc1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is UUPCSCPYZPHDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c25-13-19-1-3-20(4-2-19)21-5-6-23(28-14-21)29-11-8-18(9-12-29)7-10-27-24(30)31-16-22-15-26-17-32-22/h1-6,14-15,17-18H,7-12,16H2,(H,27,30).
What are the key properties of 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 447.56 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 140567344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).