1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

C12H22N2OS — CID 115653493

IUPAC1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCc1ncsc1CNC(C)COCC(C)C
InChIInChI=1S/C12H22N2OS/c1-9(2)6-15-7-10(3)13-5-12-11(4)14-8-16-12/h8-10,13H,5-7H2,1-4H3
InChIKeyCZEFLPWGTFJFRW-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.60
Rot. Bonds7

About 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 115653493) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID115653493
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCc1ncsc1CNC(C)COCC(C)C
InChIInChI=1S/C12H22N2OS/c1-9(2)6-15-7-10(3)13-5-12-11(4)14-8-16-12/h8-10,13H,5-7H2,1-4H3
InChIKeyCZEFLPWGTFJFRW-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 55170907
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 115653493) is 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is Cc1ncsc1CNC(C)COCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is CZEFLPWGTFJFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)6-15-7-10(3)13-5-12-11(4)14-8-16-12/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 115653493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).