N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide

C19H16N4O3S — CID 24658588

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C19H16N4O3S/c20-16(24)10-15-11-27-19(22-15)23-18(26)13-6-8-14(9-7-13)21-17(25)12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,24)(H,21,25)(H,22,23,26)
InChIKeySOXSCOLQTQVJDG-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.68
Rot. Bonds6

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

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide (PubChem CID 24658588) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
PubChem CID24658588
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C19H16N4O3S/c20-16(24)10-15-11-27-19(22-15)23-18(26)13-6-8-14(9-7-13)21-17(25)12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,24)(H,21,25)(H,22,23,26)
InChIKeySOXSCOLQTQVJDG-UHFFFAOYSA-N
XLogP2.68
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
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N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
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N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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CID 27901869
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide (CID 24658588) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide is NC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide?
The InChIKey is SOXSCOLQTQVJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c20-16(24)10-15-11-27-19(22-15)23-18(26)13-6-8-14(9-7-13)21-17(25)12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,24)(H,21,25)(H,22,23,26).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide has a molecular weight of 380.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide is sourced from PubChem (CID 24658588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).