4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine

C15H26N2OS — CID 65079472

IUPAC4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine
SMILESCCc1nc(C2(NC(C)C)CCCOCC2)sc1C
InChIInChI=1S/C15H26N2OS/c1-5-13-12(4)19-14(16-13)15(17-11(2)3)7-6-9-18-10-8-15/h11,17H,5-10H2,1-4H3
InChIKeyOQDSAYFFFCAXAU-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.41
Rot. Bonds4

About 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine

4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine (PubChem CID 65079472) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine.

Molecular Properties

Compound Name4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine
PubChem CID65079472
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine
SMILESCCc1nc(C2(NC(C)C)CCCOCC2)sc1C
InChIInChI=1S/C15H26N2OS/c1-5-13-12(4)19-14(16-13)15(17-11(2)3)7-6-9-18-10-8-15/h11,17H,5-10H2,1-4H3
InChIKeyOQDSAYFFFCAXAU-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine?
The IUPAC name of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine (CID 65079472) is 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine.
What is the SMILES notation for 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine?
The canonical SMILES for 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine is CCc1nc(C2(NC(C)C)CCCOCC2)sc1C.
What is the InChIKey of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine?
The InChIKey is OQDSAYFFFCAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-13-12(4)19-14(16-13)15(17-11(2)3)7-6-9-18-10-8-15/h11,17H,5-10H2,1-4H3.
What are the key properties of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine?
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine has a molecular weight of 282.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine is sourced from PubChem (CID 65079472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).