N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

C21H17N3O2S2 — CID 27286556

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1csc(N(C(=O)c2cccc(OCc3cscn3)c2)c2ccccc2)n1
InChIInChI=1S/C21H17N3O2S2/c1-15-12-28-21(23-15)24(18-7-3-2-4-8-18)20(25)16-6-5-9-19(10-16)26-11-17-13-27-14-22-17/h2-10,12-14H,11H2,1H3
InChIKeyHGGABWGOQZSUBK-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.47
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 27286556) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID27286556
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1csc(N(C(=O)c2cccc(OCc3cscn3)c2)c2ccccc2)n1
InChIInChI=1S/C21H17N3O2S2/c1-15-12-28-21(23-15)24(18-7-3-2-4-8-18)20(25)16-6-5-9-19(10-16)26-11-17-13-27-14-22-17/h2-10,12-14H,11H2,1H3
InChIKeyHGGABWGOQZSUBK-UHFFFAOYSA-N
XLogP5.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 7917594
dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16610768
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134054636
3-methoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110723491
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39431921
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
2,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
CID 43024651
2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
CID 99807622
(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451662
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27287507
N-[4-[(4-benzoylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16611293
[4-[2,2-dimethylpropanoyl(methyl)amino]phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86911740

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 27286556) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1csc(N(C(=O)c2cccc(OCc3cscn3)c2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is HGGABWGOQZSUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c1-15-12-28-21(23-15)24(18-7-3-2-4-8-18)20(25)16-6-5-9-19(10-16)26-11-17-13-27-14-22-17/h2-10,12-14H,11H2,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 407.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 27286556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).