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

C9H17N3OS — CID 62477835

IUPAC4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
SMILESCOCCC(N)CNCc1nccs1
InChIInChI=1S/C9H17N3OS/c1-13-4-2-8(10)6-11-7-9-12-3-5-14-9/h3,5,8,11H,2,4,6-7,10H2,1H3
InChIKeyJGHXVCZTZVXHPK-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.60
Rot. Bonds7

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

4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine (PubChem CID 62477835) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
PubChem CID62477835
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
SMILESCOCCC(N)CNCc1nccs1
InChIInChI=1S/C9H17N3OS/c1-13-4-2-8(10)6-11-7-9-12-3-5-14-9/h3,5,8,11H,2,4,6-7,10H2,1H3
InChIKeyJGHXVCZTZVXHPK-UHFFFAOYSA-N
XLogP0.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethoxy)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 102927833
2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
2-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 61286207
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 65232884
1-N-[(3-bromothiophen-2-yl)methyl]-5-methoxypentane-1,2-diamine
CID 81102533
4-methoxy-1-N-propylbutane-1,2-diamine
CID 62477493
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169291
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine (CID 62477835) is 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine is COCCC(N)CNCc1nccs1.
What is the InChIKey of 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine?
The InChIKey is JGHXVCZTZVXHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-13-4-2-8(10)6-11-7-9-12-3-5-14-9/h3,5,8,11H,2,4,6-7,10H2,1H3.
What are the key properties of 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine?
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine has a molecular weight of 215.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62477835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).