2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide

C19H26N4O3S — CID 9419673

IUPAC2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@@H]1SC(CN(C)CC(=O)NC(C)C)=NC1=O
InChIInChI=1S/C19H26N4O3S/c1-12(2)20-17(25)10-23(4)11-18-22-19(26)15(27-18)9-16(24)21-14-8-6-5-7-13(14)3/h5-8,12,15H,9-11H2,1-4H3,(H,20,25)(H,21,24)/t15-/m0/s1
InChIKeyGILTYMRPNJYCCZ-HNNXBMFYSA-N
MW390.51 g/mol
LogP1.82
Rot. Bonds8

About 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide

2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 9419673) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID9419673
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@@H]1SC(CN(C)CC(=O)NC(C)C)=NC1=O
InChIInChI=1S/C19H26N4O3S/c1-12(2)20-17(25)10-23(4)11-18-22-19(26)15(27-18)9-16(24)21-14-8-6-5-7-13(14)3/h5-8,12,15H,9-11H2,1-4H3,(H,20,25)(H,21,24)/t15-/m0/s1
InChIKeyGILTYMRPNJYCCZ-HNNXBMFYSA-N
XLogP1.82
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 9419702
[(5R)-5-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419688
N-(2-methylphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
CID 8002047
N-(2,4-dimethylphenyl)-2-[2-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 18774859
[(5S)-5-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419677
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
CID 35921740
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 7987486
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
CID 81491089

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide (CID 9419673) is 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C[C@@H]1SC(CN(C)CC(=O)NC(C)C)=NC1=O.
What is the InChIKey of 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is GILTYMRPNJYCCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12(2)20-17(25)10-23(4)11-18-22-19(26)15(27-18)9-16(24)21-14-8-6-5-7-13(14)3/h5-8,12,15H,9-11H2,1-4H3,(H,20,25)(H,21,24)/t15-/m0/s1.
What are the key properties of 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide?
2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9419673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).