2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine

C9H16N2O2S2 — CID 116633715

IUPAC2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(c1nc(C(C)(C)N)cs1)S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-6(15(4,12)13)8-11-7(5-14-8)9(2,3)10/h5-6H,10H2,1-4H3
InChIKeyRCBDTCSSHAFGEN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.44
Rot. Bonds3

About 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 116633715) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID116633715
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(c1nc(C(C)(C)N)cs1)S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-6(15(4,12)13)8-11-7(5-14-8)9(2,3)10/h5-6H,10H2,1-4H3
InChIKeyRCBDTCSSHAFGEN-UHFFFAOYSA-N
XLogP1.44
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine
CID 116633709
2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116633699
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline
CID 116633705
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 96864974
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
CID 62952140
2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116705312
(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide
CID 99843487
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
2-[2-(1-methoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116502253
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine (CID 116633715) is 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine is CC(c1nc(C(C)(C)N)cs1)S(C)(=O)=O.
What is the InChIKey of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is RCBDTCSSHAFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-6(15(4,12)13)8-11-7(5-14-8)9(2,3)10/h5-6H,10H2,1-4H3.
What are the key properties of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 116633715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).