2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

C18H21F2N3O2S — CID 72649575

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C18H21F2N3O2S/c1-4-14(17(25)23-18-21-9-15(26-18)10(2)3)22-16(24)7-11-5-12(19)8-13(20)6-11/h5-6,8-10,14H,4,7H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyVZJBZGIBTWLIBL-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.62
Rot. Bonds7

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 72649575) has the molecular formula C18H21F2N3O2S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID72649575
Molecular FormulaC18H21F2N3O2S
Molecular Weight381.45 g/mol
Exact Mass381.13
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C18H21F2N3O2S/c1-4-14(17(25)23-18-21-9-15(26-18)10(2)3)22-16(24)7-11-5-12(19)8-13(20)6-11/h5-6,8-10,14H,4,7H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyVZJBZGIBTWLIBL-UHFFFAOYSA-N
XLogP3.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-bromo-3-pyridinyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 72649577
N-[5-[1-(butylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91275313
N-[5-[1-(benzylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91176467
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide
CID 25008628
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pentanamide
CID 91001589
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
CID 87904395
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 68832393
N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 10414577
N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91592777
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 87748843
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methoxypropanoyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87479201
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-phenoxybutylsulfanyl)-1,3-thiazol-2-yl]pentanamide
CID 25010213

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (CID 72649575) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is CCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is VZJBZGIBTWLIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S/c1-4-14(17(25)23-18-21-9-15(26-18)10(2)3)22-16(24)7-11-5-12(19)8-13(20)6-11/h5-6,8-10,14H,4,7H2,1-3H3,(H,22,24)(H,21,23,25).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 381.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 72649575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).