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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Related Compounds

1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 140567356
1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 141259699
1,3-thiazol-4-ylmethyl N-[[1-[6-[3-(cyanomethyl)phenyl]-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 140567387
1,3-thiazol-4-ylmethyl N-[2-[1-[6-[3-(dimethylcarbamoyl)phenyl]-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 140567371
1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate
CID 123526962
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67130483
[1-(6-isoquinolin-5-yl-2-pyridinyl)piperidin-4-yl]methyl-(1,3-thiazol-4-ylmethyl)carbamic acid
CID 67394825
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78817892
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 49481828
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136547172

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).