N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide

C19H24N2O2S — CID 99639698

IUPACN-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CCc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13(20-14(2)22)5-6-15-7-9-16(10-8-15)17-12-24-19(21-17)18-4-3-11-23-18/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,20,22)/t13-,18+/m1/s1
InChIKeySXXMXLYOCWCRLF-ACJLOTCBSA-N
MW344.48 g/mol
LogP4.12
Rot. Bonds6

About N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide

N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (PubChem CID 99639698) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
PubChem CID99639698
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CCc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13(20-14(2)22)5-6-15-7-9-16(10-8-15)17-12-24-19(21-17)18-4-3-11-23-18/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,20,22)/t13-,18+/m1/s1
InChIKeySXXMXLYOCWCRLF-ACJLOTCBSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 9173902
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 95142326
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 42896369
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
N-[4-[4-[(3R)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 41250932
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 45281419
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 3601096
N-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 40819927

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (CID 99639698) is N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is CC(=O)N[C@H](C)CCc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1.
What is the InChIKey of N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The InChIKey is SXXMXLYOCWCRLF-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13(20-14(2)22)5-6-15-7-9-16(10-8-15)17-12-24-19(21-17)18-4-3-11-23-18/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,20,22)/t13-,18+/m1/s1.
What are the key properties of N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 99639698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).