5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole

C17H19ClN4S — CID 154758710

IUPAC5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESCc1cn[nH]c1CN1CCC(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C17H19ClN4S/c1-11-9-19-21-15(11)10-22-6-4-12(5-7-22)17-20-14-8-13(18)2-3-16(14)23-17/h2-3,8-9,12H,4-7,10H2,1H3,(H,19,21)
InChIKeyJZBGFTAWCURWKX-UHFFFAOYSA-N
MW346.89 g/mol
LogP4.36
Rot. Bonds3

About 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole

5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole (PubChem CID 154758710) has the molecular formula C17H19ClN4S and a molecular weight of 346.89 g/mol. Its IUPAC name is 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
PubChem CID154758710
Molecular FormulaC17H19ClN4S
Molecular Weight346.89 g/mol
Exact Mass346.10
IUPAC Name5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESCc1cn[nH]c1CN1CCC(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C17H19ClN4S/c1-11-9-19-21-15(11)10-22-6-4-12(5-7-22)17-20-14-8-13(18)2-3-16(14)23-17/h2-3,8-9,12H,4-7,10H2,1H3,(H,19,21)
InChIKeyJZBGFTAWCURWKX-UHFFFAOYSA-N
XLogP4.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione
CID 34890128
4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]butanenitrile
CID 51111339
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 41419742
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 46564193
1-bicyclo[1.1.0]butanyl-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 166427433
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120797425
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 55540501
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 41419848
5-chloro-2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1,3-benzothiazole
CID 56513636
2-[[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione
CID 34890152

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole (CID 154758710) is 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole is Cc1cn[nH]c1CN1CCC(c2nc3cc(Cl)ccc3s2)CC1.
What is the InChIKey of 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The InChIKey is JZBGFTAWCURWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4S/c1-11-9-19-21-15(11)10-22-6-4-12(5-7-22)17-20-14-8-13(18)2-3-16(14)23-17/h2-3,8-9,12H,4-7,10H2,1H3,(H,19,21).
What are the key properties of 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole has a molecular weight of 346.89 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 154758710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).