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

C19H17N3O2S — CID 37018718

IUPACN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCc1cnc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H17N3O2S/c1-13-11-21-19(25-13)22-17(23)12-20-18(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyBAPYVCZSRFCXKT-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.49
Rot. Bonds5

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

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 37018718) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID37018718
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCc1cnc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H17N3O2S/c1-13-11-21-19(25-13)22-17(23)12-20-18(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyBAPYVCZSRFCXKT-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 86891581
N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 37019362
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 813342
2-(2-hydroxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 78990794
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 46481508
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 3558595

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide (CID 37018718) is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide is Cc1cnc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is BAPYVCZSRFCXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-11-21-19(25-13)22-17(23)12-20-18(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 351.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 37018718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).