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

C19H23N3O2S — CID 51191475

IUPACN-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C19H23N3O2S/c1-22(16-10-6-3-7-11-16)17(23)12-15-13-25-19(20-15)21-18(24)14-8-4-2-5-9-14/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3,(H,20,21,24)
InChIKeyCLPDYSRGKIAYSW-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.73
Rot. Bonds5

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

N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 51191475) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID51191475
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C19H23N3O2S/c1-22(16-10-6-3-7-11-16)17(23)12-15-13-25-19(20-15)21-18(24)14-8-4-2-5-9-14/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3,(H,20,21,24)
InChIKeyCLPDYSRGKIAYSW-UHFFFAOYSA-N
XLogP3.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 51191475) is N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CLPDYSRGKIAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-22(16-10-6-3-7-11-16)17(23)12-15-13-25-19(20-15)21-18(24)14-8-4-2-5-9-14/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3,(H,20,21,24).
What are the key properties of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 51191475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).