1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine

C16H18ClN5S — CID 72903720

IUPAC1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine
SMILESClc1ccc2nc(N3CCC(NCc4ccn[nH]4)CC3)sc2c1
InChIInChI=1S/C16H18ClN5S/c17-11-1-2-14-15(9-11)23-16(20-14)22-7-4-12(5-8-22)18-10-13-3-6-19-21-13/h1-3,6,9,12,18H,4-5,7-8,10H2,(H,19,21)
InChIKeyARLWMNWKEAETNX-UHFFFAOYSA-N
MW347.88 g/mol
LogP3.43
Rot. Bonds4

About 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine

1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine (PubChem CID 72903720) has the molecular formula C16H18ClN5S and a molecular weight of 347.88 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine
PubChem CID72903720
Molecular FormulaC16H18ClN5S
Molecular Weight347.88 g/mol
Exact Mass347.10
IUPAC Name1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine
SMILESClc1ccc2nc(N3CCC(NCc4ccn[nH]4)CC3)sc2c1
InChIInChI=1S/C16H18ClN5S/c17-11-1-2-14-15(9-11)23-16(20-14)22-7-4-12(5-8-22)18-10-13-3-6-19-21-13/h1-3,6,9,12,18H,4-5,7-8,10H2,(H,19,21)
InChIKeyARLWMNWKEAETNX-UHFFFAOYSA-N
XLogP3.43
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 72879104
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine
CID 174571089
methyl 2-[3-[[[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]amino]methyl]phenyl]acetate;methyl 2-[3-[[[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-ethylamino]methyl]phenyl]acetate
CID 157373743
2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91806718
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
CID 166603229
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774137
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine (CID 72903720) is 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine is Clc1ccc2nc(N3CCC(NCc4ccn[nH]4)CC3)sc2c1.
What is the InChIKey of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine?
The InChIKey is ARLWMNWKEAETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5S/c17-11-1-2-14-15(9-11)23-16(20-14)22-7-4-12(5-8-22)18-10-13-3-6-19-21-13/h1-3,6,9,12,18H,4-5,7-8,10H2,(H,19,21).
What are the key properties of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine?
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine has a molecular weight of 347.88 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 72903720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).