5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine

C10H19N3OS — CID 103389503

IUPAC5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1nccs1
InChIInChI=1S/C10H19N3OS/c1-14-8-9(3-2-4-11)13-7-10-12-5-6-15-10/h5-6,9,13H,2-4,7-8,11H2,1H3
InChIKeyQKTRBCMLGNKHHN-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.99
Rot. Bonds8

About 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine

5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine (PubChem CID 103389503) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
PubChem CID103389503
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1nccs1
InChIInChI=1S/C10H19N3OS/c1-14-8-9(3-2-4-11)13-7-10-12-5-6-15-10/h5-6,9,13H,2-4,7-8,11H2,1H3
InChIKeyQKTRBCMLGNKHHN-UHFFFAOYSA-N
XLogP0.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 103389917
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
CID 103389358
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103390731
5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
CID 106039419
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
CID 62477835
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115654848
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-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine (CID 103389503) is 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine is COCC(CCCN)NCc1nccs1.
What is the InChIKey of 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine?
The InChIKey is QKTRBCMLGNKHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-14-8-9(3-2-4-11)13-7-10-12-5-6-15-10/h5-6,9,13H,2-4,7-8,11H2,1H3.
What are the key properties of 5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine?
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine has a molecular weight of 229.35 g/mol, XLogP of 0.99, 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-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 103389503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).