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

C14H26N2S — CID 115567823

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1nc(C)c(C)s1
InChIInChI=1S/C14H26N2S/c1-4-5-6-7-8-9-10-15-11-14-16-12(2)13(3)17-14/h15H,4-11H2,1-3H3
InChIKeyQOIIQBWIYBLGJW-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.21
Rot. Bonds9

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine (PubChem CID 115567823) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
PubChem CID115567823
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1nc(C)c(C)s1
InChIInChI=1S/C14H26N2S/c1-4-5-6-7-8-9-10-15-11-14-16-12(2)13(3)17-14/h15H,4-11H2,1-3H3
InChIKeyQOIIQBWIYBLGJW-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 106841669
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]hex-5-yn-1-amine
CID 106211610
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine
CID 79017643
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133525
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
CID 115887221
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 178190269
2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114127588
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 82102705
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113259255
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399630

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine (CID 115567823) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine is CCCCCCCCNCc1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
The InChIKey is QOIIQBWIYBLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-5-6-7-8-9-10-15-11-14-16-12(2)13(3)17-14/h15H,4-11H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine is sourced from PubChem (CID 115567823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).