1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

C26H31N5O3S — CID 140567376

IUPAC1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESO=C(NCC1CCN(c2cccc(-c3ccccc3N3CCOCC3)n2)CC1)OCc1cscn1
InChIInChI=1S/C26H31N5O3S/c32-26(34-17-21-18-35-19-28-21)27-16-20-8-10-31(11-9-20)25-7-3-5-23(29-25)22-4-1-2-6-24(22)30-12-14-33-15-13-30/h1-7,18-20H,8-17H2,(H,27,32)
InChIKeyGHTMDOYQYPZVRN-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.18
Rot. Bonds7

About 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (PubChem CID 140567376) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
PubChem CID140567376
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESO=C(NCC1CCN(c2cccc(-c3ccccc3N3CCOCC3)n2)CC1)OCc1cscn1
InChIInChI=1S/C26H31N5O3S/c32-26(34-17-21-18-35-19-28-21)27-16-20-8-10-31(11-9-20)25-7-3-5-23(29-25)22-4-1-2-6-24(22)30-12-14-33-15-13-30/h1-7,18-20H,8-17H2,(H,27,32)
InChIKeyGHTMDOYQYPZVRN-UHFFFAOYSA-N
XLogP4.18
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (CID 140567376) is 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is O=C(NCC1CCN(c2cccc(-c3ccccc3N3CCOCC3)n2)CC1)OCc1cscn1.
What is the InChIKey of 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is GHTMDOYQYPZVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c32-26(34-17-21-18-35-19-28-21)27-16-20-8-10-31(11-9-20)25-7-3-5-23(29-25)22-4-1-2-6-24(22)30-12-14-33-15-13-30/h1-7,18-20H,8-17H2,(H,27,32).
What are the key properties of 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 493.63 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethyl N-[[1-[6-(2-morpholin-4-ylphenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 140567376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).