N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C19H23FN2O2S — CID 96545451

IUPACN-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C19H23FN2O2S/c1-11(2)19-21-12(3)17(25-19)18(23)22-16(15-5-4-10-24-15)13-6-8-14(20)9-7-13/h6-9,11,15-16H,4-5,10H2,1-3H3,(H,22,23)/t15-,16-/m1/s1
InChIKeyJIBJZODXWUYPGD-HZPDHXFCSA-N
MW362.47 g/mol
LogP4.36
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 96545451) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID96545451
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C19H23FN2O2S/c1-11(2)19-21-12(3)17(25-19)18(23)22-16(15-5-4-10-24-15)13-6-8-14(20)9-7-13/h6-9,11,15-16H,4-5,10H2,1-3H3,(H,22,23)/t15-,16-/m1/s1
InChIKeyJIBJZODXWUYPGD-HZPDHXFCSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 94633691
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide
CID 136876879
N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72837310
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651394

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 96545451) is N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JIBJZODXWUYPGD-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-11(2)19-21-12(3)17(25-19)18(23)22-16(15-5-4-10-24-15)13-6-8-14(20)9-7-13/h6-9,11,15-16H,4-5,10H2,1-3H3,(H,22,23)/t15-,16-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 96545451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).