N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C22H25N3OS — CID 42917891

IUPACN-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(C)c(-c2csc(NC(C)c3ccccc3)n2)c1C
InChIInChI=1S/C22H25N3OS/c1-13-11-14(2)21(24-17(5)26)15(3)20(13)19-12-27-22(25-19)23-16(4)18-9-7-6-8-10-18/h6-12,16H,1-5H3,(H,23,25)(H,24,26)
InChIKeyKYYYHJPZQFAODD-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.87
Rot. Bonds5

About N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 42917891) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID42917891
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(C)c(-c2csc(NC(C)c3ccccc3)n2)c1C
InChIInChI=1S/C22H25N3OS/c1-13-11-14(2)21(24-17(5)26)15(3)20(13)19-12-27-22(25-19)23-16(4)18-9-7-6-8-10-18/h6-12,16H,1-5H3,(H,23,25)(H,24,26)
InChIKeyKYYYHJPZQFAODD-UHFFFAOYSA-N
XLogP5.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
CID 7529068
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 83152765
5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343382
(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 7924768
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376

Frequently Asked Questions

What is the IUPAC name of N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 42917891) is N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1c(C)cc(C)c(-c2csc(NC(C)c3ccccc3)n2)c1C.
What is the InChIKey of N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is KYYYHJPZQFAODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-13-11-14(2)21(24-17(5)26)15(3)20(13)19-12-27-22(25-19)23-16(4)18-9-7-6-8-10-18/h6-12,16H,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 42917891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).