N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C22H18N4O3S2 — CID 27286247

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OCc4cscn4)c3)n2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-14(27)24-17-7-5-15(6-8-17)20-12-31-22(25-20)26-21(28)16-3-2-4-19(9-16)29-10-18-11-30-13-23-18/h2-9,11-13H,10H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyIHPVRUPVYJXOJA-UHFFFAOYSA-N
MW450.55 g/mol
LogP5.06
Rot. Bonds7

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 27286247) has the molecular formula C22H18N4O3S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID27286247
Molecular FormulaC22H18N4O3S2
Molecular Weight450.55 g/mol
Exact Mass450.08
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OCc4cscn4)c3)n2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-14(27)24-17-7-5-15(6-8-17)20-12-31-22(25-20)26-21(28)16-3-2-4-19(9-16)29-10-18-11-30-13-23-18/h2-9,11-13H,10H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyIHPVRUPVYJXOJA-UHFFFAOYSA-N
XLogP5.06
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27287507
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643796
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-pentoxybenzamide
CID 4646219

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 27286247) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OCc4cscn4)c3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is IHPVRUPVYJXOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S2/c1-14(27)24-17-7-5-15(6-8-17)20-12-31-22(25-20)26-21(28)16-3-2-4-19(9-16)29-10-18-11-30-13-23-18/h2-9,11-13H,10H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 450.55 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 27286247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).