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

C14H16N2O2S2 — CID 2230377

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O2S2/c1-16(12-7-8-20(17,18)10-12)14-15-13(9-19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3/t12-/m1/s1
InChIKeyXDKQQMSPQKMLTF-GFCCVEGCSA-N
MW308.43 g/mol
LogP2.43
Rot. Bonds3

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

N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2230377) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2230377
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O2S2/c1-16(12-7-8-20(17,18)10-12)14-15-13(9-19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3/t12-/m1/s1
InChIKeyXDKQQMSPQKMLTF-GFCCVEGCSA-N
XLogP2.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(oxolan-3-yl)-4-phenyl-1,3-thiazol-2-amine
CID 133372493
N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 8560450
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112934602
1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 62900326
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933432
(3S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 94394020
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96576100
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112896192
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 97319612
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125171057
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730552
2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765116

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine (CID 2230377) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine is CN(c1nc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is XDKQQMSPQKMLTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-16(12-7-8-20(17,18)10-12)14-15-13(9-19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3/t12-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 308.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2230377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).