N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide

C18H24N4O2S — CID 133115452

IUPACN-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)N1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H24N4O2S/c23-16-4-2-1-3-15(16)21-7-9-22(10-8-21)18(24)20-13-5-6-17-14(11-13)19-12-25-17/h5-6,11-12,15-16,23H,1-4,7-10H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyJHRYZBNDHOSCED-HZPDHXFCSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide

N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide (PubChem CID 133115452) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide
PubChem CID133115452
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)N1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H24N4O2S/c23-16-4-2-1-3-15(16)21-7-9-22(10-8-21)18(24)20-13-5-6-17-14(11-13)19-12-25-17/h5-6,11-12,15-16,23H,1-4,7-10H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyJHRYZBNDHOSCED-HZPDHXFCSA-N
XLogP2.75
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-5-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99830066
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
CID 118767759
N-(1,3-benzothiazol-6-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99592169
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide
CID 72878185
(3S)-N-(1,3-benzothiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125131303
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232
4-[(1S,2R)-2-hydroxycyclopentyl]-N-(4-methyl-3-nitrophenyl)piperazine-1-carboxamide
CID 95151678
N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72904604
N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 131895532
N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
CID 119296080
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide (CID 133115452) is N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide is O=C(Nc1ccc2scnc2c1)N1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide?
The InChIKey is JHRYZBNDHOSCED-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-16-4-2-1-3-15(16)21-7-9-22(10-8-21)18(24)20-13-5-6-17-14(11-13)19-12-25-17/h5-6,11-12,15-16,23H,1-4,7-10H2,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide?
N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 133115452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).