(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

C16H20N2O3S2 — CID 99931750

IUPAC(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCOc1ccccc1-c1ncc(CN(C)[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C16H20N2O3S2/c1-18(12-7-8-23(19,20)11-12)10-13-9-17-16(22-13)14-5-3-4-6-15(14)21-2/h3-6,9,12H,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyPUFGZIRHVFNMKP-GFCCVEGCSA-N
MW352.48 g/mol
LogP2.44
Rot. Bonds5

About (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 99931750) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID99931750
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCOc1ccccc1-c1ncc(CN(C)[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C16H20N2O3S2/c1-18(12-7-8-23(19,20)11-12)10-13-9-17-16(22-13)14-5-3-4-6-15(14)21-2/h3-6,9,12H,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyPUFGZIRHVFNMKP-GFCCVEGCSA-N
XLogP2.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 84593085
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 125166387
N-(1,1-dioxothiolan-3-yl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 43648599
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391704
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 60508810
N-[(3-bromo-4-methoxyphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 60669797
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-methoxybenzaldehyde
CID 62017766
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
CID 72857210
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 126429384
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780
N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 99931750) is (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is COc1ccccc1-c1ncc(CN(C)[C@@H]2CCS(=O)(=O)C2)s1.
What is the InChIKey of (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is PUFGZIRHVFNMKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-18(12-7-8-23(19,20)11-12)10-13-9-17-16(22-13)14-5-3-4-6-15(14)21-2/h3-6,9,12H,7-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 352.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 99931750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).