N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H24N2O2S2 — CID 107154552

IUPACN-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC(C)(C)S(C)(=O)=O)S1
InChIInChI=1S/C12H24N2O2S2/c1-9(2)6-10-7-13-11(17-10)14-8-12(3,4)18(5,15)16/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyDBAUEORQZFWXDK-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.92
Rot. Bonds5

About N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154552) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154552
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC(C)(C)S(C)(=O)=O)S1
InChIInChI=1S/C12H24N2O2S2/c1-9(2)6-10-7-13-11(17-10)14-8-12(3,4)18(5,15)16/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyDBAUEORQZFWXDK-UHFFFAOYSA-N
XLogP1.92
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154552) is N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCC(C)(C)S(C)(=O)=O)S1.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DBAUEORQZFWXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-9(2)6-10-7-13-11(17-10)14-8-12(3,4)18(5,15)16/h9-10H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 292.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).