(2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine

C12H22N2S2 — CID 95123080

IUPAC(2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
SMILESCSC(C)(C)C[C@H](C)NCc1csc(C)n1
InChIInChI=1S/C12H22N2S2/c1-9(6-12(3,4)15-5)13-7-11-8-16-10(2)14-11/h8-9,13H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyHSXMUFVZUTWRHM-VIFPVBQESA-N
MW258.46 g/mol
LogP3.46
Rot. Bonds6

About (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine

(2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine (PubChem CID 95123080) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
PubChem CID95123080
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Name(2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
SMILESCSC(C)(C)C[C@H](C)NCc1csc(C)n1
InChIInChI=1S/C12H22N2S2/c1-9(6-12(3,4)15-5)13-7-11-8-16-10(2)14-11/h8-9,13H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyHSXMUFVZUTWRHM-VIFPVBQESA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine with MolForge

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Related Compounds

4-ethylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 115660477
4-methoxy-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentan-2-amine
CID 113260118
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639877
1-chloro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 79245829
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61282600
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63378657

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine (CID 95123080) is (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine is CSC(C)(C)C[C@H](C)NCc1csc(C)n1.
What is the InChIKey of (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The InChIKey is HSXMUFVZUTWRHM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2S2/c1-9(6-12(3,4)15-5)13-7-11-8-16-10(2)14-11/h8-9,13H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
(2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine has a molecular weight of 258.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine is sourced from PubChem (CID 95123080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).