1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine

C14H26N2S — CID 61331537

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1nc(CC)c(C)s1
InChIInChI=1S/C14H26N2S/c1-5-7-8-9-10-13(15-4)14-16-12(6-2)11(3)17-14/h13,15H,5-10H2,1-4H3
InChIKeyHYGRUVIFKOZHHG-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.24
Rot. Bonds8

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine (PubChem CID 61331537) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine
PubChem CID61331537
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1nc(CC)c(C)s1
InChIInChI=1S/C14H26N2S/c1-5-7-8-9-10-13(15-4)14-16-12(6-2)11(3)17-14/h13,15H,5-10H2,1-4H3
InChIKeyHYGRUVIFKOZHHG-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.24
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
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
CID 61336236
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
CID 62544291
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 61336142
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
CID 61333638
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
CID 105124721
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
CID 61330560
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine
CID 116502415
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine (CID 61331537) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine is CCCCCCC(NC)c1nc(CC)c(C)s1.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine?
The InChIKey is HYGRUVIFKOZHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-7-8-9-10-13(15-4)14-16-12(6-2)11(3)17-14/h13,15H,5-10H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine is sourced from PubChem (CID 61331537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).