2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide

C19H21FN2O2S2 — CID 95192653

IUPAC2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(c1cnc(-c2ccccc2F)s1)N(C[C@H]1CCCO1)[C@@H]1CCSC1
InChIInChI=1S/C19H21FN2O2S2/c20-16-6-2-1-5-15(16)18-21-10-17(26-18)19(23)22(13-7-9-25-12-13)11-14-4-3-8-24-14/h1-2,5-6,10,13-14H,3-4,7-9,11-12H2/t13-,14-/m1/s1
InChIKeyWQSZCOASBHDURB-ZIAGYGMSSA-N
MW392.52 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide

2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 95192653) has the molecular formula C19H21FN2O2S2 and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID95192653
Molecular FormulaC19H21FN2O2S2
Molecular Weight392.52 g/mol
Exact Mass392.10
IUPAC Name2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(c1cnc(-c2ccccc2F)s1)N(C[C@H]1CCCO1)[C@@H]1CCSC1
InChIInChI=1S/C19H21FN2O2S2/c20-16-6-2-1-5-15(16)18-21-10-17(26-18)19(23)22(13-7-9-25-12-13)11-14-4-3-8-24-14/h1-2,5-6,10,13-14H,3-4,7-9,11-12H2/t13-,14-/m1/s1
InChIKeyWQSZCOASBHDURB-ZIAGYGMSSA-N
XLogP4.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]isoquinoline-1-carboxamide
CID 95326524
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083951
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083953
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
N-[[(2R)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-7-carboxamide
CID 97079734
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
CID 136528047

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide (CID 95192653) is 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide is O=C(c1cnc(-c2ccccc2F)s1)N(C[C@H]1CCCO1)[C@@H]1CCSC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is WQSZCOASBHDURB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H21FN2O2S2/c20-16-6-2-1-5-15(16)18-21-10-17(26-18)19(23)22(13-7-9-25-12-13)11-14-4-3-8-24-14/h1-2,5-6,10,13-14H,3-4,7-9,11-12H2/t13-,14-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95192653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).