1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine

C15H28N2S — CID 61336142

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1nc(C)c(C)s1
InChIInChI=1S/C15H28N2S/c1-5-7-8-9-10-14(16-11-6-2)15-17-12(3)13(4)18-15/h14,16H,5-11H2,1-4H3
InChIKeyMIYNWEKFWMCPCR-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.77
Rot. Bonds9

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine (PubChem CID 61336142) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
PubChem CID61336142
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1nc(C)c(C)s1
InChIInChI=1S/C15H28N2S/c1-5-7-8-9-10-14(16-11-6-2)15-17-12(3)13(4)18-15/h14,16H,5-11H2,1-4H3
InChIKeyMIYNWEKFWMCPCR-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.77
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

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 63405862
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
CID 61333638
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
CID 62544291
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine
CID 61331537
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
1-(4-bromo-5-methylthiophen-2-yl)-N-propyldecan-1-amine
CID 102827908
1-(4-bromo-5-methylthiophen-2-yl)-N-propylheptan-1-amine
CID 102827771
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 65169094
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
CID 61336236
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(3-chloro-4-methylthiophen-2-yl)-N-propylnonan-1-amine
CID 103405538

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine (CID 61336142) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
The InChIKey is MIYNWEKFWMCPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-7-8-9-10-14(16-11-6-2)15-17-12(3)13(4)18-15/h14,16H,5-11H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine is sourced from PubChem (CID 61336142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).