4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole

C12H21N3OS — CID 71755634

IUPAC4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole
SMILESCOC(C)c1nc(CN2CCCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-10(16-2)12-14-11(9-17-12)8-15-6-3-4-13-5-7-15/h9-10,13H,3-8H2,1-2H3
InChIKeyKUKYVKYUPJHOOT-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.65
Rot. Bonds4

About 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole

4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole (PubChem CID 71755634) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole
PubChem CID71755634
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole
SMILESCOC(C)c1nc(CN2CCCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-10(16-2)12-14-11(9-17-12)8-15-6-3-4-13-5-7-15/h9-10,13H,3-8H2,1-2H3
InChIKeyKUKYVKYUPJHOOT-UHFFFAOYSA-N
XLogP1.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-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 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole?
The IUPAC name of 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole (CID 71755634) is 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole?
The canonical SMILES for 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole is COC(C)c1nc(CN2CCCNCC2)cs1.
What is the InChIKey of 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole?
The InChIKey is KUKYVKYUPJHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10(16-2)12-14-11(9-17-12)8-15-6-3-4-13-5-7-15/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole?
4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole has a molecular weight of 255.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-ylmethyl)-2-(1-methoxyethyl)-1,3-thiazole is sourced from PubChem (CID 71755634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).