N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide

C17H20N2O2S — CID 111471390

IUPACN-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3CCCC3O)c2)cs1
InChIInChI=1S/C17H20N2O2S/c1-11-19-15(10-22-11)12-4-2-5-13(8-12)17(21)18-9-14-6-3-7-16(14)20/h2,4-5,8,10,14,16,20H,3,6-7,9H2,1H3,(H,18,21)
InChIKeyJGTUNAUJMGUOPY-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.01
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide

N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 111471390) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID111471390
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3CCCC3O)c2)cs1
InChIInChI=1S/C17H20N2O2S/c1-11-19-15(10-22-11)12-4-2-5-13(8-12)17(21)18-9-14-6-3-7-16(14)20/h2,4-5,8,10,14,16,20H,3,6-7,9H2,1H3,(H,18,21)
InChIKeyJGTUNAUJMGUOPY-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 75472233
N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 119591379
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 120947563
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119633701
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111482579
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 111471390) is N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2cccc(C(=O)NCC3CCCC3O)c2)cs1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is JGTUNAUJMGUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-19-15(10-22-11)12-4-2-5-13(8-12)17(21)18-9-14-6-3-7-16(14)20/h2,4-5,8,10,14,16,20H,3,6-7,9H2,1H3,(H,18,21).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 316.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 111471390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).