1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C14H26N2OS — CID 114362320

IUPAC1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(CC)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C14H26N2OS/c1-7-10(17-8-2)13-16-12(14(3,4)5)11(18-13)9-15-6/h10,15H,7-9H2,1-6H3
InChIKeyLNAHWFLJWZSTAV-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.65
Rot. Bonds6

About 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114362320) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114362320
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(CC)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C14H26N2OS/c1-7-10(17-8-2)13-16-12(14(3,4)5)11(18-13)9-15-6/h10,15H,7-9H2,1-6H3
InChIKeyLNAHWFLJWZSTAV-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362860
N-[[2-(1-ethoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730586
N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114363090
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575
1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362453
1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368301
N-[[2-(1-ethoxypropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365184
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363929
1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730788
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62764685
1-[2-(2-ethoxypropan-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730710
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480752

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114362320) is 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCOC(CC)c1nc(C(C)(C)C)c(CNC)s1.
What is the InChIKey of 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is LNAHWFLJWZSTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-7-10(17-8-2)13-16-12(14(3,4)5)11(18-13)9-15-6/h10,15H,7-9H2,1-6H3.
What are the key properties of 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 270.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114362320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).