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

C12H23N3OS — CID 106039419

IUPAC5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCCc1csc(C)n1
InChIInChI=1S/C12H23N3OS/c1-10-15-12(9-17-10)5-7-14-11(8-16-2)4-3-6-13/h9,11,14H,3-8,13H2,1-2H3
InChIKeyUZHFPPIFJMKMME-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.34
Rot. Bonds9

About 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine

5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine (PubChem CID 106039419) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
PubChem CID106039419
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCCc1csc(C)n1
InChIInChI=1S/C12H23N3OS/c1-10-15-12(9-17-10)5-7-14-11(8-16-2)4-3-6-13/h9,11,14H,3-8,13H2,1-2H3
InChIKeyUZHFPPIFJMKMME-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
CID 106396139
4-methoxy-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentan-2-amine
CID 113260118
5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 103389917
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103777249
5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine
CID 103389472
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine (CID 106039419) is 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine is COCC(CCCN)NCCc1csc(C)n1.
What is the InChIKey of 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine?
The InChIKey is UZHFPPIFJMKMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10-15-12(9-17-10)5-7-14-11(8-16-2)4-3-6-13/h9,11,14H,3-8,13H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine?
5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine has a molecular weight of 257.40 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 106039419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).