N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide

C13H13N3O2S — CID 95477972

IUPACN-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(C(C)=O)cs2)c1
InChIInChI=1S/C13H13N3O2S/c1-8(17)12-7-19-13(16-12)15-11-5-3-4-10(6-11)14-9(2)18/h3-7H,1-2H3,(H,14,18)(H,15,16)
InChIKeySVXCLPSLHAQSFO-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.05
Rot. Bonds4

About N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide

N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide (PubChem CID 95477972) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
PubChem CID95477972
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(C(C)=O)cs2)c1
InChIInChI=1S/C13H13N3O2S/c1-8(17)12-7-19-13(16-12)15-11-5-3-4-10(6-11)14-9(2)18/h3-7H,1-2H3,(H,14,18)(H,15,16)
InChIKeySVXCLPSLHAQSFO-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564813
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565384
methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227
N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565421
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565373
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide (CID 95477972) is N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(C(C)=O)cs2)c1.
What is the InChIKey of N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The InChIKey is SVXCLPSLHAQSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8(17)12-7-19-13(16-12)15-11-5-3-4-10(6-11)14-9(2)18/h3-7H,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide has a molecular weight of 275.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 95477972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).