2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol

C16H21ClN2OS — CID 172893518

IUPAC2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
SMILESCc1cc(Cl)cc2sc(N3CCC(C(C)(C)O)CC3)nc12
InChIInChI=1S/C16H21ClN2OS/c1-10-8-12(17)9-13-14(10)18-15(21-13)19-6-4-11(5-7-19)16(2,3)20/h8-9,11,20H,4-7H2,1-3H3
InChIKeyZLEBKEMDODVLDQ-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.25
Rot. Bonds2

About 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol

2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol (PubChem CID 172893518) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
PubChem CID172893518
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
SMILESCc1cc(Cl)cc2sc(N3CCC(C(C)(C)O)CC3)nc12
InChIInChI=1S/C16H21ClN2OS/c1-10-8-12(17)9-13-14(10)18-15(21-13)19-6-4-11(5-7-19)16(2,3)20/h8-9,11,20H,4-7H2,1-3H3
InChIKeyZLEBKEMDODVLDQ-UHFFFAOYSA-N
XLogP4.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine
CID 82192162
1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580823
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172904123
tert-butyl 4-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxylate
CID 164928698
4,6-dichloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzothiazole
CID 2746127
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-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172893515
2-[4-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941737
6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941570
N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172893358
2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172891718

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol (CID 172893518) is 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol is Cc1cc(Cl)cc2sc(N3CCC(C(C)(C)O)CC3)nc12.
What is the InChIKey of 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is ZLEBKEMDODVLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-10-8-12(17)9-13-14(10)18-15(21-13)19-6-4-11(5-7-19)16(2,3)20/h8-9,11,20H,4-7H2,1-3H3.
What are the key properties of 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 324.88 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 172893518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).