2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide

C17H18F2N4O3S — CID 87904395

IUPAC2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C17H18F2N4O3S/c1-2-3-12(16(26)23-17-21-8-13(27-17)15(20)25)22-14(24)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H2,20,25)(H,22,24)(H,21,23,26)
InChIKeyIGFWVOSQAWAMJK-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.99
Rot. Bonds8

About 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide

2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 87904395) has the molecular formula C17H18F2N4O3S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
PubChem CID87904395
Molecular FormulaC17H18F2N4O3S
Molecular Weight396.42 g/mol
Exact Mass396.11
IUPAC Name2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C17H18F2N4O3S/c1-2-3-12(16(26)23-17-21-8-13(27-17)15(20)25)22-14(24)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H2,20,25)(H,22,24)(H,21,23,26)
InChIKeyIGFWVOSQAWAMJK-UHFFFAOYSA-N
XLogP1.99
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pentanamide
CID 91001589
N-[5-[1-(butylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91275313
N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91592777
N-[5-[1-(benzylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91176467
N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 10414577
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 72649575
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[4-(2-hydroxyethylamino)-2-methylbutan-2-yl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 25010391
N-[5-[1-(butylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91290153
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-phenoxybutylsulfanyl)-1,3-thiazol-2-yl]pentanamide
CID 25010213
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
CID 86598115
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide
CID 91166034
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
CID 11211599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide (CID 87904395) is 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(N)=O)s1.
What is the InChIKey of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is IGFWVOSQAWAMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3S/c1-2-3-12(16(26)23-17-21-8-13(27-17)15(20)25)22-14(24)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H2,20,25)(H,22,24)(H,21,23,26).
What are the key properties of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide?
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87904395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).