[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol

C10H15ClN2O2S — CID 80693113

IUPAC[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1CN(c2nc(Cl)c(CO)s2)CCCO1
InChIInChI=1S/C10H15ClN2O2S/c1-7-5-13(3-2-4-15-7)10-12-9(11)8(6-14)16-10/h7,14H,2-6H2,1H3
InChIKeyRYFKMXRNBQLYQW-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.90
Rot. Bonds2

About [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 80693113) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
PubChem CID80693113
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1CN(c2nc(Cl)c(CO)s2)CCCO1
InChIInChI=1S/C10H15ClN2O2S/c1-7-5-13(3-2-4-15-7)10-12-9(11)8(6-14)16-10/h7,14H,2-6H2,1H3
InChIKeyRYFKMXRNBQLYQW-UHFFFAOYSA-N
XLogP1.90
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2-methylmorpholine
CID 80688129
[4-ethyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780833
[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692404
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967794
[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692897
[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692510
N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62968144
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967795
[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
CID 81199670
[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 81474876
N-[[2-(2-methyl-1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62967101
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692314

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol (CID 80693113) is [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol is CC1CN(c2nc(Cl)c(CO)s2)CCCO1.
What is the InChIKey of [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is RYFKMXRNBQLYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-7-5-13(3-2-4-15-7)10-12-9(11)8(6-14)16-10/h7,14H,2-6H2,1H3.
What are the key properties of [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 262.76 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).