[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol

C14H17ClN2OS — CID 146074445

IUPAC[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
SMILESCc1ccc(Cl)c2sc(N3CCCC(CO)C3)nc12
InChIInChI=1S/C14H17ClN2OS/c1-9-4-5-11(15)13-12(9)16-14(19-13)17-6-2-3-10(7-17)8-18/h4-5,10,18H,2-3,6-8H2,1H3
InChIKeyLZTJNDSCQSTGSZ-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.47
Rot. Bonds2

About [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol

[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 146074445) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
PubChem CID146074445
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
SMILESCc1ccc(Cl)c2sc(N3CCCC(CO)C3)nc12
InChIInChI=1S/C14H17ClN2OS/c1-9-4-5-11(15)13-12(9)16-14(19-13)17-6-2-3-10(7-17)8-18/h4-5,10,18H,2-3,6-8H2,1H3
InChIKeyLZTJNDSCQSTGSZ-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 154580821
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 154575671
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172904123
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 175647955
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829671
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 25267807
6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941765
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 155975143
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 55230644
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7540355
5-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997690

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol (CID 146074445) is [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol is Cc1ccc(Cl)c2sc(N3CCCC(CO)C3)nc12.
What is the InChIKey of [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is LZTJNDSCQSTGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-9-4-5-11(15)13-12(9)16-14(19-13)17-6-2-3-10(7-17)8-18/h4-5,10,18H,2-3,6-8H2,1H3.
What are the key properties of [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 296.82 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 146074445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).