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

C21H18N4O2S — CID 87008296

IUPACN-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C21H18N4O2S/c1-25-9-8-22-20(25)15-4-2-6-17(10-15)24-21(26)16-5-3-7-19(11-16)27-12-18-13-28-14-23-18/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyIUVIHPSFMFZTCX-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.37
Rot. Bonds6

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

N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 87008296) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID87008296
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C21H18N4O2S/c1-25-9-8-22-20(25)15-4-2-6-17(10-15)24-21(26)16-5-3-7-19(11-16)27-12-18-13-28-14-23-18/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyIUVIHPSFMFZTCX-UHFFFAOYSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 41360644
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55732736
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286247
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 87008296) is N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is Cn1ccnc1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is IUVIHPSFMFZTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-25-9-8-22-20(25)15-4-2-6-17(10-15)24-21(26)16-5-3-7-19(11-16)27-12-18-13-28-14-23-18/h2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 87008296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).