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

C12H22N2OS — CID 115688389

IUPAC4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCCC(NC(C)CCOC)c1ncc(C)s1
InChIInChI=1S/C12H22N2OS/c1-5-11(12-13-8-10(3)16-12)14-9(2)6-7-15-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyVAEIDWXEELGMQF-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.92
Rot. Bonds7

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

4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine (PubChem CID 115688389) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
PubChem CID115688389
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCCC(NC(C)CCOC)c1ncc(C)s1
InChIInChI=1S/C12H22N2OS/c1-5-11(12-13-8-10(3)16-12)14-9(2)6-7-15-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyVAEIDWXEELGMQF-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
CID 104578195
4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585473
N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115722264
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate
CID 75523823
N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106579737
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
2-hexan-2-yl-5-methyl-1,3-thiazole
CID 166727410
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096557
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 115726990
N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115641842
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726880

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine (CID 115688389) is 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine is CCC(NC(C)CCOC)c1ncc(C)s1.
What is the InChIKey of 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The InChIKey is VAEIDWXEELGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-11(12-13-8-10(3)16-12)14-9(2)6-7-15-4/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine is sourced from PubChem (CID 115688389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).