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

C12H22N2OS — CID 104585473

IUPAC4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCOCCC(C)NCC(C)c1ncc(C)s1
InChIInChI=1S/C12H22N2OS/c1-9(12-14-8-11(3)16-12)7-13-10(2)5-6-15-4/h8-10,13H,5-7H2,1-4H3
InChIKeyWUIJCIAVCHZMTC-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.57
Rot. Bonds7

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

4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine (PubChem CID 104585473) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
PubChem CID104585473
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCOCCC(C)NCC(C)c1ncc(C)s1
InChIInChI=1S/C12H22N2OS/c1-9(12-14-8-11(3)16-12)7-13-10(2)5-6-15-4/h8-10,13H,5-7H2,1-4H3
InChIKeyWUIJCIAVCHZMTC-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
1-(4-Hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868151
1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 91636055
2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine
CID 115920919
1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 84770825
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150107
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 103150108
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150109
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150110
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150111
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150112
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103150113

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine (CID 104585473) is 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine is COCCC(C)NCC(C)c1ncc(C)s1.
What is the InChIKey of 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The InChIKey is WUIJCIAVCHZMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(12-14-8-11(3)16-12)7-13-10(2)5-6-15-4/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine is sourced from PubChem (CID 104585473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).