N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C19H16F3N3O3S — CID 167992347

IUPACN-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)s1)c1cc2ccccc2o1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)18-23-9-15(29-18)17(27)25-12-6-3-5-11(12)24-16(26)14-8-10-4-1-2-7-13(10)28-14/h1-2,4,7-9,11-12H,3,5-6H2,(H,24,26)(H,25,27)/t11-,12-/m1/s1
InChIKeyRFSMSVDBOLCNSS-VXGBXAGGSA-N
MW423.42 g/mol
LogP3.99
Rot. Bonds4

About N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 167992347) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID167992347
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)s1)c1cc2ccccc2o1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)18-23-9-15(29-18)17(27)25-12-6-3-5-11(12)24-16(26)14-8-10-4-1-2-7-13(10)28-14/h1-2,4,7-9,11-12H,3,5-6H2,(H,24,26)(H,25,27)/t11-,12-/m1/s1
InChIKeyRFSMSVDBOLCNSS-VXGBXAGGSA-N
XLogP3.99
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
N-(2-fluorocyclopentyl)-1-benzofuran-2-carboxamide
CID 126857780
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356
N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 128986111
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 129006244
1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783218
5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054283
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1-benzofuran-2-carboxamide
CID 43603784

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 167992347) is N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(N[C@@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)s1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RFSMSVDBOLCNSS-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c20-19(21,22)18-23-9-15(29-18)17(27)25-12-6-3-5-11(12)24-16(26)14-8-10-4-1-2-7-13(10)28-14/h1-2,4,7-9,11-12H,3,5-6H2,(H,24,26)(H,25,27)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167992347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).