1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine

C16H30N2OS — CID 116721640

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)C(OCC)C(C)C
InChIInChI=1S/C16H30N2OS/c1-7-9-17-14(16(11(3)4)19-8-2)10-15-18-12(5)13(6)20-15/h11,14,16-17H,7-10H2,1-6H3
InChIKeyPGTXTXFPPIKIPN-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.73
Rot. Bonds9

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 116721640) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
PubChem CID116721640
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)C(OCC)C(C)C
InChIInChI=1S/C16H30N2OS/c1-7-9-17-14(16(11(3)4)19-8-2)10-15-18-12(5)13(6)20-15/h11,14,16-17H,7-10H2,1-6H3
InChIKeyPGTXTXFPPIKIPN-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine
CID 116721716
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115729046
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide
CID 119061685
[1-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethoxypropan-2-yl]hydrazine
CID 105272985
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714793
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
CID 116721629
N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107004833
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715677

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine (CID 116721640) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1nc(C)c(C)s1)C(OCC)C(C)C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is PGTXTXFPPIKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-7-9-17-14(16(11(3)4)19-8-2)10-15-18-12(5)13(6)20-15/h11,14,16-17H,7-10H2,1-6H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 298.50 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116721640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).