2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C17H16N4O2S2 — CID 47832602

IUPAC2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NCC(=O)Nc1nccs1
InChIInChI=1S/C17H16N4O2S2/c1-11-15(25-14(20-11)9-12-5-3-2-4-6-12)16(23)19-10-13(22)21-17-18-7-8-24-17/h2-8H,9-10H2,1H3,(H,19,23)(H,18,21,22)
InChIKeyMLPKBSOSJRQFOT-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.87
Rot. Bonds6

About 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47832602) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47832602
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NCC(=O)Nc1nccs1
InChIInChI=1S/C17H16N4O2S2/c1-11-15(25-14(20-11)9-12-5-3-2-4-6-12)16(23)19-10-13(22)21-17-18-7-8-24-17/h2-8H,9-10H2,1H3,(H,19,23)(H,18,21,22)
InChIKeyMLPKBSOSJRQFOT-UHFFFAOYSA-N
XLogP2.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-N-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084159
2-benzyl-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 35534310
2-benzyl-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084154
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47832602) is 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)NCC(=O)Nc1nccs1.
What is the InChIKey of 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MLPKBSOSJRQFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-11-15(25-14(20-11)9-12-5-3-2-4-6-12)16(23)19-10-13(22)21-17-18-7-8-24-17/h2-8H,9-10H2,1H3,(H,19,23)(H,18,21,22).
What are the key properties of 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47832602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).