N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide

C15H18N2O2S — CID 106122209

IUPACN-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2O2S/c18-12-4-1-10(2-5-12)8-16-15(19)11-3-6-13-14(7-11)20-9-17-13/h3,6-7,9-10,12,18H,1-2,4-5,8H2,(H,16,19)
InChIKeyVTUOYNLGMMNBCY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.58
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 106122209) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID106122209
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2O2S/c18-12-4-1-10(2-5-12)8-16-15(19)11-3-6-13-14(7-11)20-9-17-13/h3,6-7,9-10,12,18H,1-2,4-5,8H2,(H,16,19)
InChIKeyVTUOYNLGMMNBCY-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 71806878
N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 131940985
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126917690
N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 119558095
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide (CID 106122209) is N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide is O=C(NCC1CCC(O)CC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is VTUOYNLGMMNBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-12-4-1-10(2-5-12)8-16-15(19)11-3-6-13-14(7-11)20-9-17-13/h3,6-7,9-10,12,18H,1-2,4-5,8H2,(H,16,19).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 106122209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).