N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide

C18H19FN4O4S — CID 91497274

IUPACN-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)Nc1nc(CCNC(=O)C2CCC(=O)O2)cs1
InChIInChI=1S/C18H19FN4O4S/c19-12-3-1-2-11(8-12)9-21-17(26)23-18-22-13(10-28-18)6-7-20-16(25)14-4-5-15(24)27-14/h1-3,8,10,14H,4-7,9H2,(H,20,25)(H2,21,22,23,26)
InChIKeyAUZFQUSFTZHYHZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.97
Rot. Bonds7

About N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide

N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide (PubChem CID 91497274) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide
PubChem CID91497274
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC NameN-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)Nc1nc(CCNC(=O)C2CCC(=O)O2)cs1
InChIInChI=1S/C18H19FN4O4S/c19-12-3-1-2-11(8-12)9-21-17(26)23-18-22-13(10-28-18)6-7-20-16(25)14-4-5-15(24)27-14/h1-3,8,10,14H,4-7,9H2,(H,20,25)(H2,21,22,23,26)
InChIKeyAUZFQUSFTZHYHZ-UHFFFAOYSA-N
XLogP1.97
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide
CID 91498125
1-[4-(cyclopentylsulfonylmethyl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 25207114
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-(methoxymethyl)oxolane-2-carboxamide
CID 91039775
N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90950496
1-[(3-fluorophenyl)methyl]-3-[4-[[[3-(2-hydroxyethyl)-1,2-oxazol-4-yl]methyl-methylamino]methyl]-1,3-thiazol-2-yl]urea
CID 87755331
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 87095634
1-[(3-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]urea
CID 25205672
N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90818494
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 25206308
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide?
The IUPAC name of N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide (CID 91497274) is N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide is O=C(NCc1cccc(F)c1)Nc1nc(CCNC(=O)C2CCC(=O)O2)cs1.
What is the InChIKey of N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide?
The InChIKey is AUZFQUSFTZHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c19-12-3-1-2-11(8-12)9-21-17(26)23-18-22-13(10-28-18)6-7-20-16(25)14-4-5-15(24)27-14/h1-3,8,10,14H,4-7,9H2,(H,20,25)(H2,21,22,23,26).
What are the key properties of N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide?
N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 91497274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).