N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine

C10H18N2OS — CID 62542619

IUPACN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCCOC)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-4-10(2,12-5-7-13-3)9-11-6-8-14-9/h6,8,12H,4-5,7H2,1-3H3
InChIKeyOYDAABGGSMXCJW-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.00
Rot. Bonds6

About N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine

N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 62542619) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID62542619
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCCOC)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-4-10(2,12-5-7-13-3)9-11-6-8-14-9/h6,8,12H,4-5,7H2,1-3H3
InChIKeyOYDAABGGSMXCJW-UHFFFAOYSA-N
XLogP2.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.00
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

2-(1,3-Thiazol-2-yl)butan-2-amine
CID 53534946
3-(1,3-Thiazol-2-yl)oxetan-3-amine hydrochloride
CID 86674782
Methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71868948
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propan-1-ol
CID 71986832
3-[3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
CID 71986833
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 96519861
1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
CID 96519867
3-(1,3-Thiazol-2-yl)oxetan-3-amine
CID 67481694
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480833

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine (CID 62542619) is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine is CCC(C)(NCCOC)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is OYDAABGGSMXCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-10(2,12-5-7-13-3)9-11-6-8-14-9/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 62542619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).