4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine

C10H18N2O2S — CID 43137916

IUPAC4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine
SMILESCCCCOCCOCc1csc(N)n1
InChIInChI=1S/C10H18N2O2S/c1-2-3-4-13-5-6-14-7-9-8-15-10(11)12-9/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyMIOKKXOMTSCWDG-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.06
Rot. Bonds8

About 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine

4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine (PubChem CID 43137916) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine
PubChem CID43137916
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine
SMILESCCCCOCCOCc1csc(N)n1
InChIInChI=1S/C10H18N2O2S/c1-2-3-4-13-5-6-14-7-9-8-15-10(11)12-9/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyMIOKKXOMTSCWDG-UHFFFAOYSA-N
XLogP2.06
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-butoxyethoxymethyl)pyridin-2-amine
CID 79238771
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 102981948
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
CID 114341140
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
CID 160840726
4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride
CID 174616600
(2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide
CID 175378183
4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
CID 43144743
4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
CID 63697554

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine (CID 43137916) is 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine is CCCCOCCOCc1csc(N)n1.
What is the InChIKey of 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is MIOKKXOMTSCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-3-4-13-5-6-14-7-9-8-15-10(11)12-9/h8H,2-7H2,1H3,(H2,11,12).
What are the key properties of 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine?
4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 230.33 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43137916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).