4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide

C20H20N4O2S — CID 90174299

IUPAC4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccncc2)s1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H20N4O2S/c25-19(23-18-13-22-20(27-18)17-5-7-21-8-6-17)16-3-1-15(2-4-16)14-24-9-11-26-12-10-24/h1-8,13H,9-12,14H2,(H,23,25)
InChIKeyJIZNWWKKKADFSS-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.29
Rot. Bonds5

About 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide

4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide (PubChem CID 90174299) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
PubChem CID90174299
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccncc2)s1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H20N4O2S/c25-19(23-18-13-22-20(27-18)17-5-7-21-8-6-17)16-3-1-15(2-4-16)14-24-9-11-26-12-10-24/h1-8,13H,9-12,14H2,(H,23,25)
InChIKeyJIZNWWKKKADFSS-UHFFFAOYSA-N
XLogP3.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 90173853
4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90172696
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
N-[2-amino-5-(6-fluoro-3-pyridinyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 69101495
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide (CID 90174299) is 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide is O=C(Nc1cnc(-c2ccncc2)s1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
The InChIKey is JIZNWWKKKADFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(23-18-13-22-20(27-18)17-5-7-21-8-6-17)16-3-1-15(2-4-16)14-24-9-11-26-12-10-24/h1-8,13H,9-12,14H2,(H,23,25).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 90174299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).