5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine

C11H21N3OS — CID 103389917

IUPAC5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1scnc1C
InChIInChI=1S/C11H21N3OS/c1-9-11(16-8-14-9)6-13-10(7-15-2)4-3-5-12/h8,10,13H,3-7,12H2,1-2H3
InChIKeyGHMGSTIVSBGJHX-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.30
Rot. Bonds8

About 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine

5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine (PubChem CID 103389917) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
PubChem CID103389917
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1scnc1C
InChIInChI=1S/C11H21N3OS/c1-9-11(16-8-14-9)6-13-10(7-15-2)4-3-5-12/h8,10,13H,3-7,12H2,1-2H3
InChIKeyGHMGSTIVSBGJHX-UHFFFAOYSA-N
XLogP1.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
CID 103389358
5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
CID 106039419
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115653493
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
CID 106396139

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine (CID 103389917) is 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine is COCC(CCCN)NCc1scnc1C.
What is the InChIKey of 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine?
The InChIKey is GHMGSTIVSBGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9-11(16-8-14-9)6-13-10(7-15-2)4-3-5-12/h8,10,13H,3-7,12H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine has a molecular weight of 243.38 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 103389917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).