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

C10H18N2S2 — CID 64540795

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1sc(C)nc1C
InChIInChI=1S/C10H18N2S2/c1-8-10(14-9(2)12-8)7-11-5-4-6-13-3/h11H,4-7H2,1-3H3
InChIKeyZORQNSOMEAJZSR-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.60
Rot. Bonds6

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 64540795) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID64540795
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1sc(C)nc1C
InChIInChI=1S/C10H18N2S2/c1-8-10(14-9(2)12-8)7-11-5-4-6-13-3/h11H,4-7H2,1-3H3
InChIKeyZORQNSOMEAJZSR-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694220
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
CID 64541630
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 115640533
N,N,4-trimethyl-5-[(2-methylsulfanylethylamino)methyl]-1,3-thiazol-2-amine
CID 115600609
N-[[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82426303
2-butoxy-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539322
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 64539510
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 64539929
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395688
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63964251
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78996318

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine (CID 64540795) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine is CSCCCNCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is ZORQNSOMEAJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8-10(14-9(2)12-8)7-11-5-4-6-13-3/h11H,4-7H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 64540795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).