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

C13H24N2O2S2 — CID 114365445

IUPACN-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(C(C)S(C)(=O)=O)nc1C(C)C
InChIInChI=1S/C13H24N2O2S2/c1-8(2)12-11(7-14-9(3)4)18-13(15-12)10(5)19(6,16)17/h8-10,14H,7H2,1-6H3
InChIKeyLIXLLGRLDUEHQN-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.87
Rot. Bonds6

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

N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114365445) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114365445
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(C(C)S(C)(=O)=O)nc1C(C)C
InChIInChI=1S/C13H24N2O2S2/c1-8(2)12-11(7-14-9(3)4)18-13(15-12)10(5)19(6,16)17/h8-10,14H,7H2,1-6H3
InChIKeyLIXLLGRLDUEHQN-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116633333
N-[[2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434348
N-[[4-ethyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116633346
N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365463
N-[(4-propan-2-yl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 114365434
N-[[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82435229
N-[[2-(5-methylpyrimidin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365464
4-[4-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889307
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841630
[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
CID 114361701
N-[[2-(3-bromo-4-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365441

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114365445) is N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(C(C)S(C)(=O)=O)nc1C(C)C.
What is the InChIKey of N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is LIXLLGRLDUEHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-8(2)12-11(7-14-9(3)4)18-13(15-12)10(5)19(6,16)17/h8-10,14H,7H2,1-6H3.
What are the key properties of N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114365445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).