N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

C22H20N4O2S2 — CID 2226077

IUPACN-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1
InChIInChI=1S/C22H20N4O2S2/c1-3-28-17-11-9-16(10-12-17)24-21-25-18(13-29-21)19-14(2)23-22(30-19)26-20(27)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25)(H,23,26,27)
InChIKeyRFRVLFMKWWFJDO-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.97
Rot. Bonds7

About N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 2226077) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID2226077
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC NameN-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1
InChIInChI=1S/C22H20N4O2S2/c1-3-28-17-11-9-16(10-12-17)24-21-25-18(13-29-21)19-14(2)23-22(30-19)26-20(27)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25)(H,23,26,27)
InChIKeyRFRVLFMKWWFJDO-UHFFFAOYSA-N
XLogP5.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 1255045
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
CID 5344979
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoate
CID 2230892
N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877340
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
3-[4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid
CID 87682710
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877527
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 27377773
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
CID 22433684

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 2226077) is N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is CCOc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1.
What is the InChIKey of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is RFRVLFMKWWFJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-3-28-17-11-9-16(10-12-17)24-21-25-18(13-29-21)19-14(2)23-22(30-19)26-20(27)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25)(H,23,26,27).
What are the key properties of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2226077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).