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

C19H26N2O2S — CID 95142326

IUPACN-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCOC[C@@H](C)c1nc(-c2ccc(CC[C@@H](C)NC(C)=O)cc2)cs1
InChIInChI=1S/C19H26N2O2S/c1-13(11-23-4)19-21-18(12-24-19)17-9-7-16(8-10-17)6-5-14(2)20-15(3)22/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyGTCWJPYXSCSJJM-ZIAGYGMSSA-N
MW346.50 g/mol
LogP4.02
Rot. Bonds8

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

N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (PubChem CID 95142326) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
PubChem CID95142326
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCOC[C@@H](C)c1nc(-c2ccc(CC[C@@H](C)NC(C)=O)cc2)cs1
InChIInChI=1S/C19H26N2O2S/c1-13(11-23-4)19-21-18(12-24-19)17-9-7-16(8-10-17)6-5-14(2)20-15(3)22/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyGTCWJPYXSCSJJM-ZIAGYGMSSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
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-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 42896369
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-[4-[4-[(3R)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 41250932
N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 99639698
N-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 40819927
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 45281419
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)propanamide
CID 86949975

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (CID 95142326) is N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is COC[C@@H](C)c1nc(-c2ccc(CC[C@@H](C)NC(C)=O)cc2)cs1.
What is the InChIKey of N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The InChIKey is GTCWJPYXSCSJJM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13(11-23-4)19-21-18(12-24-19)17-9-7-16(8-10-17)6-5-14(2)20-15(3)22/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide has a molecular weight of 346.50 g/mol, XLogP of 4.02, 8 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-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 95142326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).