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

C20H14N4O2S2 — CID 4294892

IUPACN-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3ccccc3)n2)cs1)c1ccccc1
InChIInChI=1S/C20H14N4O2S2/c25-17(13-7-3-1-4-8-13)23-19-21-15(11-27-19)16-12-28-20(22-16)24-18(26)14-9-5-2-6-10-14/h1-12H,(H,21,23,25)(H,22,24,26)
InChIKeyGDTQXMOINDFMNV-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.77
Rot. Bonds5

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

N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4294892) has the molecular formula C20H14N4O2S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID4294892
Molecular FormulaC20H14N4O2S2
Molecular Weight406.49 g/mol
Exact Mass406.06
IUPAC NameN-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3ccccc3)n2)cs1)c1ccccc1
InChIInChI=1S/C20H14N4O2S2/c25-17(13-7-3-1-4-8-13)23-19-21-15(11-27-19)16-12-28-20(22-16)24-18(26)14-9-5-2-6-10-14/h1-12H,(H,21,23,25)(H,22,24,26)
InChIKeyGDTQXMOINDFMNV-UHFFFAOYSA-N
XLogP4.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide (CID 4294892) is N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2csc(NC(=O)c3ccccc3)n2)cs1)c1ccccc1.
What is the InChIKey of N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GDTQXMOINDFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S2/c25-17(13-7-3-1-4-8-13)23-19-21-15(11-27-19)16-12-28-20(22-16)24-18(26)14-9-5-2-6-10-14/h1-12H,(H,21,23,25)(H,22,24,26).
What are the key properties of N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide?
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4294892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).