N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide

C16H17N3O4S — CID 124844934

IUPACN-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(C2OCCO2)s1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17N3O4S/c1-10(13(20)19-11-5-3-2-4-6-11)18-14(21)12-9-17-15(24-12)16-22-7-8-23-16/h2-6,9-10,16H,7-8H2,1H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyHCHBSONGHBQKDK-SNVBAGLBSA-N
MW347.40 g/mol
LogP1.95
Rot. Bonds5

About N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide

N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 124844934) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID124844934
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(C2OCCO2)s1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17N3O4S/c1-10(13(20)19-11-5-3-2-4-6-11)18-14(21)12-9-17-15(24-12)16-22-7-8-23-16/h2-6,9-10,16H,7-8H2,1H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyHCHBSONGHBQKDK-SNVBAGLBSA-N
XLogP1.95
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 115731158
2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122158795
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 125144176
N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 122154912
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
CID 18807696
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide
CID 54907409
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide (CID 124844934) is N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cnc(C2OCCO2)s1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HCHBSONGHBQKDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10(13(20)19-11-5-3-2-4-6-11)18-14(21)12-9-17-15(24-12)16-22-7-8-23-16/h2-6,9-10,16H,7-8H2,1H3,(H,18,21)(H,19,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124844934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).