2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol

C16H21ClN2O2S — CID 172893515

IUPAC2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
SMILESCOc1ccc(Cl)c2sc(N3CCC(C(C)(C)O)CC3)nc12
InChIInChI=1S/C16H21ClN2O2S/c1-16(2,20)10-6-8-19(9-7-10)15-18-13-12(21-3)5-4-11(17)14(13)22-15/h4-5,10,20H,6-9H2,1-3H3
InChIKeyJYWQIJCCZFVFBF-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.95
Rot. Bonds3

About 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol

2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol (PubChem CID 172893515) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
PubChem CID172893515
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
SMILESCOc1ccc(Cl)c2sc(N3CCC(C(C)(C)O)CC3)nc12
InChIInChI=1S/C16H21ClN2O2S/c1-16(2,20)10-6-8-19(9-7-10)15-18-13-12(21-3)5-4-11(17)14(13)22-15/h4-5,10,20H,6-9H2,1-3H3
InChIKeyJYWQIJCCZFVFBF-UHFFFAOYSA-N
XLogP3.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol 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

2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172904123
2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163345039
4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
CID 16849828
4,7-dichloro-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941721
[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166603590
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-7-chloro-4-methoxy-1,3-benzothiazole
CID 16857573
7-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
CID 121083673
N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 172904226
(4-butylcyclohexyl)-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43994825
1-[4-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 18580616
7-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-1,3-benzothiazole
CID 121081782
5-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol (CID 172893515) is 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol is COc1ccc(Cl)c2sc(N3CCC(C(C)(C)O)CC3)nc12.
What is the InChIKey of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is JYWQIJCCZFVFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c1-16(2,20)10-6-8-19(9-7-10)15-18-13-12(21-3)5-4-11(17)14(13)22-15/h4-5,10,20H,6-9H2,1-3H3.
What are the key properties of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 340.88 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 172893515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).