[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine

C10H18N2OS — CID 116727879

IUPAC[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
SMILESCCOC(c1nc(CN)cs1)C(C)C
InChIInChI=1S/C10H18N2OS/c1-4-13-9(7(2)3)10-12-8(5-11)6-14-10/h6-7,9H,4-5,11H2,1-3H3
InChIKeyBZIKVSDNUMBBJS-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.34
Rot. Bonds5

About [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine

[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 116727879) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
PubChem CID116727879
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
SMILESCCOC(c1nc(CN)cs1)C(C)C
InChIInChI=1S/C10H18N2OS/c1-4-13-9(7(2)3)10-12-8(5-11)6-14-10/h6-7,9H,4-5,11H2,1-3H3
InChIKeyBZIKVSDNUMBBJS-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116705311
[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116730526
4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazole
CID 107511953
[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210
[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol
CID 66890594
5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116705248
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 116703171
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 116727757
(2S,3S)-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxy-2-methylpropanoic acid
CID 170055800

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine (CID 116727879) is [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine is CCOC(c1nc(CN)cs1)C(C)C.
What is the InChIKey of [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is BZIKVSDNUMBBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-13-9(7(2)3)10-12-8(5-11)6-14-10/h6-7,9H,4-5,11H2,1-3H3.
What are the key properties of [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine?
[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 214.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 116727879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).