3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide

C21H20N4O3S — CID 37200709

IUPAC3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1
InChIInChI=1S/C21H20N4O3S/c1-12-19(15-7-5-4-6-8-15)29-21(22-12)25-20(28)16-9-17(23-13(2)26)11-18(10-16)24-14(3)27/h4-11H,1-3H3,(H,23,26)(H,24,27)(H,22,25,28)
InChIKeyOLGUTJBRSOERFR-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.29
Rot. Bonds5

About 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide

3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 37200709) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID37200709
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1
InChIInChI=1S/C21H20N4O3S/c1-12-19(15-7-5-4-6-8-15)29-21(22-12)25-20(28)16-9-17(23-13(2)26)11-18(10-16)24-14(3)27/h4-11H,1-3H3,(H,23,26)(H,24,27)(H,22,25,28)
InChIKeyOLGUTJBRSOERFR-UHFFFAOYSA-N
XLogP4.29
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
3-(methanesulfonamido)-4-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 55635987
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 39189888
methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
CID 39189291
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 2384167
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
(E)-4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 134348775
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide (CID 37200709) is 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1.
What is the InChIKey of 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OLGUTJBRSOERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-12-19(15-7-5-4-6-8-15)29-21(22-12)25-20(28)16-9-17(23-13(2)26)11-18(10-16)24-14(3)27/h4-11H,1-3H3,(H,23,26)(H,24,27)(H,22,25,28).
What are the key properties of 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 408.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 37200709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).