N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine

C16H30N2OS — CID 63953260

IUPACN-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine
SMILESCCCCC(CC)(NCCOC)c1nc(C(C)C)cs1
InChIInChI=1S/C16H30N2OS/c1-6-8-9-16(7-2,17-10-11-19-5)15-18-14(12-20-15)13(3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyNFRPSZQLFUIMCU-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.30
Rot. Bonds10

About N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine

N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine (PubChem CID 63953260) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine
PubChem CID63953260
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine
SMILESCCCCC(CC)(NCCOC)c1nc(C(C)C)cs1
InChIInChI=1S/C16H30N2OS/c1-6-8-9-16(7-2,17-10-11-19-5)15-18-14(12-20-15)13(3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyNFRPSZQLFUIMCU-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.30
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-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953061
N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62543626
3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 63951458
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 61335180
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61333805
N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-yl]cyclopropanamine
CID 61335656
N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine
CID 79008176
2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
CID 62542781
1-methoxy-N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62536660
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-3-amine
CID 62544110
N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 62544276

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine (CID 63953260) is N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine is CCCCC(CC)(NCCOC)c1nc(C(C)C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine?
The InChIKey is NFRPSZQLFUIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-6-8-9-16(7-2,17-10-11-19-5)15-18-14(12-20-15)13(3)4/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine?
N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine has a molecular weight of 298.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine is sourced from PubChem (CID 63953260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).