2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C16H18FN3O3S — CID 16884036

IUPAC2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C16H18FN3O3S/c1-10(2)8-23-16(22)20-15-19-13(9-24-15)7-14(21)18-12-5-3-11(17)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyFCJQYFGEKWXJGU-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.67
Rot. Bonds6

About 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16884036) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16884036
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C16H18FN3O3S/c1-10(2)8-23-16(22)20-15-19-13(9-24-15)7-14(21)18-12-5-3-11(17)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyFCJQYFGEKWXJGU-UHFFFAOYSA-N
XLogP3.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027
2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883996
ethyl 4-[[2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 41211886
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884004
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
2-methylpropyl N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884016
N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029922
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16884036) is 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CC(C)COC(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is FCJQYFGEKWXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-10(2)8-23-16(22)20-15-19-13(9-24-15)7-14(21)18-12-5-3-11(17)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 351.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16884036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).