N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

C19H23N3O2S — CID 84557675

IUPACN-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(NC(=O)Cc2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C19H23N3O2S/c1-22(15-10-6-3-7-11-15)18(24)16-13-25-19(20-16)21-17(23)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,20,21,23)
InChIKeyIVXQPOROBAXFSL-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.73
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84557675) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84557675
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(NC(=O)Cc2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C19H23N3O2S/c1-22(15-10-6-3-7-11-15)18(24)16-13-25-19(20-16)21-17(23)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,20,21,23)
InChIKeyIVXQPOROBAXFSL-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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Related Compounds

N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 84556484
N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 84557675) is N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(NC(=O)Cc2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is IVXQPOROBAXFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-22(15-10-6-3-7-11-15)18(24)16-13-25-19(20-16)21-17(23)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,20,21,23).
What are the key properties of N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide 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-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84557675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).