N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C20H18F2N4O3S — CID 18567675

IUPACN-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C20H18F2N4O3S/c1-29-17-8-3-2-7-16(17)25-19(28)26-20-24-12(11-30-20)9-18(27)23-10-13-14(21)5-4-6-15(13)22/h2-8,11H,9-10H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyNZBVBZBHYQWLBP-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.93
Rot. Bonds7

About N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567675) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567675
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C20H18F2N4O3S/c1-29-17-8-3-2-7-16(17)25-19(28)26-20-24-12(11-30-20)9-18(27)23-10-13-14(21)5-4-6-15(13)22/h2-8,11H,9-10H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyNZBVBZBHYQWLBP-UHFFFAOYSA-N
XLogP3.93
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
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CID 1169035
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CID 3168636
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CID 4117930
N-(4-methoxybenzyl)-2-(2-((2-thioxo-1,2-dihydroquinazolin-4-yl)amino)thiazol-4-yl)acetamide
CID 4121748
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567675) is N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is COc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is NZBVBZBHYQWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c1-29-17-8-3-2-7-16(17)25-19(28)26-20-24-12(11-30-20)9-18(27)23-10-13-14(21)5-4-6-15(13)22/h2-8,11H,9-10H2,1H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 432.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).