N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C18H22FN3O3S — CID 86991640

IUPACN-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)C(C)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C18H22FN3O3S/c1-10(20-16(24)18(2,3)4)15(23)22-17-21-13(9-26-17)12-8-11(19)6-7-14(12)25-5/h6-10H,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyVOSFMIRVAQSIET-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.45
Rot. Bonds5

About N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 86991640) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID86991640
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)C(C)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C18H22FN3O3S/c1-10(20-16(24)18(2,3)4)15(23)22-17-21-13(9-26-17)12-8-11(19)6-7-14(12)25-5/h6-10H,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyVOSFMIRVAQSIET-UHFFFAOYSA-N
XLogP3.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
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4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
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N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
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4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
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N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
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(Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 86991640) is N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is COc1ccc(F)cc1-c1csc(NC(=O)C(C)NC(=O)C(C)(C)C)n1.
What is the InChIKey of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VOSFMIRVAQSIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-10(20-16(24)18(2,3)4)15(23)22-17-21-13(9-26-17)12-8-11(19)6-7-14(12)25-5/h6-10H,1-5H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 86991640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).