N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C13H24N2O2S2 — CID 82429387

IUPACN-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(CS(=O)(=O)CC)sc1CNCC(C)C
InChIInChI=1S/C13H24N2O2S2/c1-5-11-12(8-14-7-10(3)4)18-13(15-11)9-19(16,17)6-2/h10,14H,5-9H2,1-4H3
InChIKeyZTSQRVQJXSXLBF-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.39
Rot. Bonds8

About N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82429387) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID82429387
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(CS(=O)(=O)CC)sc1CNCC(C)C
InChIInChI=1S/C13H24N2O2S2/c1-5-11-12(8-14-7-10(3)4)18-13(15-11)9-19(16,17)6-2/h10,14H,5-9H2,1-4H3
InChIKeyZTSQRVQJXSXLBF-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842092
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
N-[[4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103476441
N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767706
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842098
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368564
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
N-[[2-(ethylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82426424
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842115
N-[[4-ethyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842108

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 82429387) is N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(CS(=O)(=O)CC)sc1CNCC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZTSQRVQJXSXLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-5-11-12(8-14-7-10(3)4)18-13(15-11)9-19(16,17)6-2/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.48 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82429387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).