N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide

C14H15N3O2S — CID 71864121

IUPACN-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(C)ns2)c1
InChIInChI=1S/C14H15N3O2S/c1-3-12(18)15-11-6-4-5-10(8-11)14(19)16-13-7-9(2)17-20-13/h4-8H,3H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYELOHMGIQJNWAP-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.05
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide

N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide (PubChem CID 71864121) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide
PubChem CID71864121
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(C)ns2)c1
InChIInChI=1S/C14H15N3O2S/c1-3-12(18)15-11-6-4-5-10(8-11)14(19)16-13-7-9(2)17-20-13/h4-8H,3H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYELOHMGIQJNWAP-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-(3-acetylphenyl)propanamide
CID 903063
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 17309540
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide (CID 71864121) is N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2cc(C)ns2)c1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide?
The InChIKey is YELOHMGIQJNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-12(18)15-11-6-4-5-10(8-11)14(19)16-13-7-9(2)17-20-13/h4-8H,3H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide?
N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide has a molecular weight of 289.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 71864121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).