N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide

C20H19N3O2S — CID 59369702

IUPACN-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyXNDFTRNFNLLUBC-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.56
Rot. Bonds6

About N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 59369702) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID59369702
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyXNDFTRNFNLLUBC-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide (CID 59369702) is N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is XNDFTRNFNLLUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59369702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).