N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide

C21H23N5O2S — CID 141440785

IUPACN-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)s1
InChIInChI=1S/C21H23N5O2S/c1-14-20(29-21(23-14)24-15(2)27)16-7-8-22-19(13-16)25-17-3-5-18(6-4-17)26-9-11-28-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyCJJPMLWQFZYAQU-UHFFFAOYSA-N
MW409.52 g/mol
LogP4.05
Rot. Bonds5

About N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 141440785) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
PubChem CID141440785
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)s1
InChIInChI=1S/C21H23N5O2S/c1-14-20(29-21(23-14)24-15(2)27)16-7-8-22-19(13-16)25-17-3-5-18(6-4-17)26-9-11-28-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyCJJPMLWQFZYAQU-UHFFFAOYSA-N
XLogP4.05
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 86610334
N-[5-[2-[4-(dimethylamino)anilino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 163503607
N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 71462973
2-methylsulfanyl-4-[[2-(4-morpholin-4-ylanilino)-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 117076406
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
CID 25059367
N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide
CID 117078785
N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 141440807
4-N-(1,3-benzothiazol-2-yl)-2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 117076612
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
2-methylsulfanyl-4-[[2-(4-morpholin-4-ylanilino)-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 117076405
N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122297526

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide (CID 141440785) is N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CJJPMLWQFZYAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-20(29-21(23-14)24-15(2)27)16-7-8-22-19(13-16)25-17-3-5-18(6-4-17)26-9-11-28-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,22,25)(H,23,24,27).
What are the key properties of N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 141440785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).