2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C18H15FN4O2S — CID 55719953

IUPAC2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccnc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1
InChIInChI=1S/C18H15FN4O2S/c1-11-6-7-20-15(8-11)22-16(24)9-12-10-26-18(21-12)23-17(25)13-4-2-3-5-14(13)19/h2-8,10H,9H2,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyAHDHLSQABVNUMC-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.42
Rot. Bonds5

About 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55719953) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55719953
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccnc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1
InChIInChI=1S/C18H15FN4O2S/c1-11-6-7-20-15(8-11)22-16(24)9-12-10-26-18(21-12)23-17(25)13-4-2-3-5-14(13)19/h2-8,10H,9H2,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyAHDHLSQABVNUMC-UHFFFAOYSA-N
XLogP3.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
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N-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
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2-fluoro-N-[4-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide
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2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 55719953) is 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is Cc1ccnc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1.
What is the InChIKey of 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is AHDHLSQABVNUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-11-6-7-20-15(8-11)22-16(24)9-12-10-26-18(21-12)23-17(25)13-4-2-3-5-14(13)19/h2-8,10H,9H2,1H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55719953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).