4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride

C18H25ClN2O2S — CID 71298636

IUPAC4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride
SMILESCc1nc(C2(O)CCCNCC2)sc1CCOc1ccccc1.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-14-16(8-13-22-15-6-3-2-4-7-15)23-17(20-14)18(21)9-5-11-19-12-10-18;/h2-4,6-7,19,21H,5,8-13H2,1H3;1H
InChIKeyKMXGGSAWCXNNQE-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.46
Rot. Bonds5

About 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride

4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride (PubChem CID 71298636) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride
PubChem CID71298636
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC Name4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride
SMILESCc1nc(C2(O)CCCNCC2)sc1CCOc1ccccc1.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-14-16(8-13-22-15-6-3-2-4-7-15)23-17(20-14)18(21)9-5-11-19-12-10-18;/h2-4,6-7,19,21H,5,8-13H2,1H3;1H
InChIKeyKMXGGSAWCXNNQE-UHFFFAOYSA-N
XLogP3.46
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride 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-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride?
The IUPAC name of 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride (CID 71298636) is 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride.
What is the SMILES notation for 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride?
The canonical SMILES for 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride is Cc1nc(C2(O)CCCNCC2)sc1CCOc1ccccc1.Cl.
What is the InChIKey of 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride?
The InChIKey is KMXGGSAWCXNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.ClH/c1-14-16(8-13-22-15-6-3-2-4-7-15)23-17(20-14)18(21)9-5-11-19-12-10-18;/h2-4,6-7,19,21H,5,8-13H2,1H3;1H.
What are the key properties of 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride?
4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride has a molecular weight of 368.93 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol;hydrochloride is sourced from PubChem (CID 71298636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).