N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide

C17H21N3O3S2 — CID 60508810

IUPACN-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC1CCS(=O)(=O)C1)Cc1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H21N3O3S2/c1-20(11-16(21)19-14-7-8-25(22,23)12-14)10-15-9-18-17(24-15)13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyKDXXGIUESYNTHM-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.55
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide (PubChem CID 60508810) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide
PubChem CID60508810
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC1CCS(=O)(=O)C1)Cc1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H21N3O3S2/c1-20(11-16(21)19-14-7-8-25(22,23)12-14)10-15-9-18-17(24-15)13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyKDXXGIUESYNTHM-UHFFFAOYSA-N
XLogP1.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide with MolForge

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47107220
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 84593085
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9106334
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27097814
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 31479026
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 27123734

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide (CID 60508810) is N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide is CN(CC(=O)NC1CCS(=O)(=O)C1)Cc1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The InChIKey is KDXXGIUESYNTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-20(11-16(21)19-14-7-8-25(22,23)12-14)10-15-9-18-17(24-15)13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide has a molecular weight of 379.51 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 60508810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).