4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine

C14H25N3OS — CID 103363122

IUPAC4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCCN(c2snc(N)c2OCC)CC1
InChIInChI=1S/C14H25N3OS/c1-3-6-11-7-5-9-17(10-8-11)14-12(18-4-2)13(15)16-19-14/h11H,3-10H2,1-2H3,(H2,15,16)
InChIKeyWSUBHZCPCKBADC-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.53
Rot. Bonds5

About 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine

4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine (PubChem CID 103363122) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
PubChem CID103363122
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCCN(c2snc(N)c2OCC)CC1
InChIInChI=1S/C14H25N3OS/c1-3-6-11-7-5-9-17(10-8-11)14-12(18-4-2)13(15)16-19-14/h11H,3-10H2,1-2H3,(H2,15,16)
InChIKeyWSUBHZCPCKBADC-UHFFFAOYSA-N
XLogP3.53
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine (CID 103363122) is 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine is CCCC1CCCN(c2snc(N)c2OCC)CC1.
What is the InChIKey of 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The InChIKey is WSUBHZCPCKBADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-6-11-7-5-9-17(10-8-11)14-12(18-4-2)13(15)16-19-14/h11H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine has a molecular weight of 283.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103363122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).