2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine

C12H23N3OS — CID 55261534

IUPAC2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
SMILESCCOC(CN)CCN(C)Cc1scnc1C
InChIInChI=1S/C12H23N3OS/c1-4-16-11(7-13)5-6-15(3)8-12-10(2)14-9-17-12/h9,11H,4-8,13H2,1-3H3
InChIKeyPZDVLNRHPUOVPN-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.64
Rot. Bonds8

About 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine

2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine (PubChem CID 55261534) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
PubChem CID55261534
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
SMILESCCOC(CN)CCN(C)Cc1scnc1C
InChIInChI=1S/C12H23N3OS/c1-4-16-11(7-13)5-6-15(3)8-12-10(2)14-9-17-12/h9,11H,4-8,13H2,1-3H3
InChIKeyPZDVLNRHPUOVPN-UHFFFAOYSA-N
XLogP1.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine (CID 55261534) is 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine is CCOC(CN)CCN(C)Cc1scnc1C.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The InChIKey is PZDVLNRHPUOVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-4-16-11(7-13)5-6-15(3)8-12-10(2)14-9-17-12/h9,11H,4-8,13H2,1-3H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine has a molecular weight of 257.40 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 55261534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).