N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide

C16H17FN2O2S — CID 110015330

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)C1CCCC1O
InChIInChI=1S/C16H17FN2O2S/c17-11-4-1-3-10(7-11)8-12-9-18-16(22-12)19-15(21)13-5-2-6-14(13)20/h1,3-4,7,9,13-14,20H,2,5-6,8H2,(H,18,19,21)
InChIKeySZODNVXANHHVKG-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.97
Rot. Bonds4

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015330) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015330
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)C1CCCC1O
InChIInChI=1S/C16H17FN2O2S/c17-11-4-1-3-10(7-11)8-12-9-18-16(22-12)19-15(21)13-5-2-6-14(13)20/h1,3-4,7,9,13-14,20H,2,5-6,8H2,(H,18,19,21)
InChIKeySZODNVXANHHVKG-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
CID 167327033
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167327072
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55614121
1-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122074687
3-(cyclopropylcarbamoylamino)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 55909172
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 37266027
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
CID 126784524
1-[4-(dimethylamino)phenyl]-3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methylurea
CID 177198527
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide (CID 110015330) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1CCCC1O.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is SZODNVXANHHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-11-4-1-3-10(7-11)8-12-9-18-16(22-12)19-15(21)13-5-2-6-14(13)20/h1,3-4,7,9,13-14,20H,2,5-6,8H2,(H,18,19,21).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).