2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine

C12H22N2OS — CID 115667007

IUPAC2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCOC(CNCc1scnc1C)C(C)(C)C
InChIInChI=1S/C12H22N2OS/c1-9-10(16-8-14-9)6-13-7-11(15-5)12(2,3)4/h8,11,13H,6-7H2,1-5H3
InChIKeyYHKOJUQTGVQACG-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.60
Rot. Bonds5

About 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine

2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 115667007) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID115667007
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCOC(CNCc1scnc1C)C(C)(C)C
InChIInChI=1S/C12H22N2OS/c1-9-10(16-8-14-9)6-13-7-11(15-5)12(2,3)4/h8,11,13H,6-7H2,1-5H3
InChIKeyYHKOJUQTGVQACG-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 66091745
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115653284
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 111466530
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111466430
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 115667007) is 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine is COC(CNCc1scnc1C)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is YHKOJUQTGVQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-10(16-8-14-9)6-13-7-11(15-5)12(2,3)4/h8,11,13H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 115667007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).