N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C12H22N2S2 — CID 82432115

IUPACN-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CSC(C)C)sc1CNC
InChIInChI=1S/C12H22N2S2/c1-5-6-10-11(7-13-4)16-12(14-10)8-15-9(2)3/h9,13H,5-8H2,1-4H3
InChIKeyWDSJFKPUICLLPC-UHFFFAOYSA-N
MW258.46 g/mol
LogP3.46
Rot. Bonds7

About N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82432115) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID82432115
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC NameN-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CSC(C)C)sc1CNC
InChIInChI=1S/C12H22N2S2/c1-5-6-10-11(7-13-4)16-12(14-10)8-15-9(2)3/h9,13H,5-8H2,1-4H3
InChIKeyWDSJFKPUICLLPC-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

3-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432135
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429278
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132
1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363402
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 82433121
N-[[4-propyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82432156
N-[[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440685
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363616
1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841176
1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 82432115) is N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(CSC(C)C)sc1CNC.
What is the InChIKey of N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is WDSJFKPUICLLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-5-6-10-11(7-13-4)16-12(14-10)8-15-9(2)3/h9,13H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 258.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82432115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).