N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C21H18N4O3S2 — CID 55921614

IUPACN-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(-c2csc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)n2)c(C)o1
InChIInChI=1S/C21H18N4O3S2/c1-12-8-16(13(2)28-12)17-11-30-21(23-17)24-18(26)9-15-10-29-20(22-15)25-19(27)14-6-4-3-5-7-14/h3-8,10-11H,9H2,1-2H3,(H,22,25,27)(H,23,24,26)
InChIKeyQIHDOALVVFGNQD-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.91
Rot. Bonds6

About N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55921614) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55921614
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(-c2csc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)n2)c(C)o1
InChIInChI=1S/C21H18N4O3S2/c1-12-8-16(13(2)28-12)17-11-30-21(23-17)24-18(26)9-15-10-29-20(22-15)25-19(27)14-6-4-3-5-7-14/h3-8,10-11H,9H2,1-2H3,(H,22,25,27)(H,23,24,26)
InChIKeyQIHDOALVVFGNQD-UHFFFAOYSA-N
XLogP4.91
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
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N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
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CID 27901869
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N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
CID 55922394
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
CID 55975784
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 55921614) is N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is Cc1cc(-c2csc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)n2)c(C)o1.
What is the InChIKey of N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QIHDOALVVFGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-12-8-16(13(2)28-12)17-11-30-21(23-17)24-18(26)9-15-10-29-20(22-15)25-19(27)14-6-4-3-5-7-14/h3-8,10-11H,9H2,1-2H3,(H,22,25,27)(H,23,24,26).
What are the key properties of N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55921614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).