N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide

C18H23N3O2S — CID 95614599

IUPACN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1
InChIInChI=1S/C18H23N3O2S/c1-6-16(22)20-15-9-7-8-14(10-15)18(23)21(5)12(3)17-11(2)19-13(4)24-17/h7-10,12H,6H2,1-5H3,(H,20,22)/t12-/m1/s1
InChIKeyJCWUTOYHOFRCRX-GFCCVEGCSA-N
MW345.47 g/mol
LogP3.94
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide (PubChem CID 95614599) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
PubChem CID95614599
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1
InChIInChI=1S/C18H23N3O2S/c1-6-16(22)20-15-9-7-8-14(10-15)18(23)21(5)12(3)17-11(2)19-13(4)24-17/h7-10,12H,6H2,1-5H3,(H,20,22)/t12-/m1/s1
InChIKeyJCWUTOYHOFRCRX-GFCCVEGCSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide
CID 95625344
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide
CID 71888750
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469402
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8805097
N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide
CID 60593198
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide (CID 95614599) is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide?
The InChIKey is JCWUTOYHOFRCRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-6-16(22)20-15-9-7-8-14(10-15)18(23)21(5)12(3)17-11(2)19-13(4)24-17/h7-10,12H,6H2,1-5H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide?
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide has a molecular weight of 345.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide is sourced from PubChem (CID 95614599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).