3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride

C11H21ClN2OS — CID 115589584

IUPAC3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCOCCCNCc1csc(C(C)C)n1.Cl
InChIInChI=1S/C11H20N2OS.ClH/c1-9(2)11-13-10(8-15-11)7-12-5-4-6-14-3;/h8-9,12H,4-7H2,1-3H3;1H
InChIKeyVJQYCWDKNIZHEM-UHFFFAOYSA-N
MW264.82 g/mol
LogP2.81
Rot. Bonds7

About 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride

3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 115589584) has the molecular formula C11H21ClN2OS and a molecular weight of 264.82 g/mol. Its IUPAC name is 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
PubChem CID115589584
Molecular FormulaC11H21ClN2OS
Molecular Weight264.82 g/mol
Exact Mass264.11
IUPAC Name3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCOCCCNCc1csc(C(C)C)n1.Cl
InChIInChI=1S/C11H20N2OS.ClH/c1-9(2)11-13-10(8-15-11)7-12-5-4-6-14-3;/h8-9,12H,4-7H2,1-3H3;1H
InChIKeyVJQYCWDKNIZHEM-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 52.81
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

3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 115595016
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115919637
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965911
3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 115592544

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride (CID 115589584) is 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride is COCCCNCc1csc(C(C)C)n1.Cl.
What is the InChIKey of 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is VJQYCWDKNIZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS.ClH/c1-9(2)11-13-10(8-15-11)7-12-5-4-6-14-3;/h8-9,12H,4-7H2,1-3H3;1H.
What are the key properties of 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride?
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 264.82 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 115589584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).