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

C10H18N2OS — CID 116812434

IUPAC5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCCC(C)c1cnc(NCCOC)s1
InChIInChI=1S/C10H18N2OS/c1-4-8(2)9-7-12-10(14-9)11-5-6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyGVFYRAURCHTZCH-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.71
Rot. Bonds6

About 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine

5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 116812434) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID116812434
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCCC(C)c1cnc(NCCOC)s1
InChIInChI=1S/C10H18N2OS/c1-4-8(2)9-7-12-10(14-9)11-5-6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyGVFYRAURCHTZCH-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 90889565
N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 114558347
5-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812467
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 116812397
N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
CID 116812463
N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422489
3-[2-(2-methoxyethylamino)-1,3-thiazol-5-yl]benzonitrile
CID 116812492
3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122048185
5-(3-cyclopropylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812420
5-butan-2-yl-1,3-thiazole-2-carboxylic acid
CID 142861315
N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 116812404

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 116812434) is 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine is CCC(C)c1cnc(NCCOC)s1.
What is the InChIKey of 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is GVFYRAURCHTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-8(2)9-7-12-10(14-9)11-5-6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 214.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).