4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine

C11H21N3OS — CID 62476800

IUPAC4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1csc(C)n1
InChIInChI=1S/C11H21N3OS/c1-9-13-11(8-16-9)7-14(2)6-10(12)4-5-15-3/h8,10H,4-7,12H2,1-3H3
InChIKeyVPXDYGPKJIXNNL-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.25
Rot. Bonds7

About 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine

4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine (PubChem CID 62476800) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
PubChem CID62476800
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1csc(C)n1
InChIInChI=1S/C11H21N3OS/c1-9-13-11(8-16-9)7-14(2)6-10(12)4-5-15-3/h8,10H,4-7,12H2,1-3H3
InChIKeyVPXDYGPKJIXNNL-UHFFFAOYSA-N
XLogP1.25
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine
CID 65296187
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 106991963
1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475450
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287796
1-N,5,5-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]hexane-1,3-diamine
CID 113497174
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
N'-hydroxy-2-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930167
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-ene-1,4-diamine
CID 77110787

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine (CID 62476800) is 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine is COCCC(N)CN(C)Cc1csc(C)n1.
What is the InChIKey of 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine?
The InChIKey is VPXDYGPKJIXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9-13-11(8-16-9)7-14(2)6-10(12)4-5-15-3/h8,10H,4-7,12H2,1-3H3.
What are the key properties of 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine?
4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine has a molecular weight of 243.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 62476800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).