2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole

C15H27N3S — CID 64948802

IUPAC2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCCC(C)C1CN(CCc2nc(C)cs2)CCCN1
InChIInChI=1S/C15H27N3S/c1-4-12(2)14-10-18(8-5-7-16-14)9-6-15-17-13(3)11-19-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyHOSZWKXPHJEOHO-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.70
Rot. Bonds5

About 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole

2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole (PubChem CID 64948802) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole
PubChem CID64948802
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCCC(C)C1CN(CCc2nc(C)cs2)CCCN1
InChIInChI=1S/C15H27N3S/c1-4-12(2)14-10-18(8-5-7-16-14)9-6-15-17-13(3)11-19-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyHOSZWKXPHJEOHO-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole 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 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole (CID 64948802) is 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole is CCC(C)C1CN(CCc2nc(C)cs2)CCCN1.
What is the InChIKey of 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole?
The InChIKey is HOSZWKXPHJEOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-12(2)14-10-18(8-5-7-16-14)9-6-15-17-13(3)11-19-15/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole?
2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64948802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).