N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine

C16H20N2O2S2 — CID 84593085

IUPACN-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCc1ccc(-c2ncc(CN(C)C3CCS(=O)(=O)C3)s2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-12-3-5-13(6-4-12)16-17-9-15(21-16)10-18(2)14-7-8-22(19,20)11-14/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyJUFFEUMMQZWSBD-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.74
Rot. Bonds4

About N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine

N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine (PubChem CID 84593085) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
PubChem CID84593085
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCc1ccc(-c2ncc(CN(C)C3CCS(=O)(=O)C3)s2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-12-3-5-13(6-4-12)16-17-9-15(21-16)10-18(2)14-7-8-22(19,20)11-14/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyJUFFEUMMQZWSBD-UHFFFAOYSA-N
XLogP2.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 99931750
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 60508810
(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 99939311
(3R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 51981068
5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylpyrimidin-2-amine
CID 77085463
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55073902
(3S)-N-benzyl-N-[(4-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 129370823
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 41075358
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 36949347
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 43817865
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47145538
5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897476

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine (CID 84593085) is N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine is Cc1ccc(-c2ncc(CN(C)C3CCS(=O)(=O)C3)s2)cc1.
What is the InChIKey of N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is JUFFEUMMQZWSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-3-5-13(6-4-12)16-17-9-15(21-16)10-18(2)14-7-8-22(19,20)11-14/h3-6,9,14H,7-8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine?
N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 336.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 84593085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).