[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid

C15H9FN2O4S — CID 87218532

IUPAC[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(-c2ccco2)c(C(=O)c2ccccc2F)s1
InChIInChI=1S/C15H9FN2O4S/c16-9-5-2-1-4-8(9)12(19)13-11(10-6-3-7-22-10)17-14(23-13)18-15(20)21/h1-7H,(H,17,18)(H,20,21)
InChIKeyDYOXQQUYHVULLP-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.86
Rot. Bonds4

About [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid

[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87218532) has the molecular formula C15H9FN2O4S and a molecular weight of 332.31 g/mol. Its IUPAC name is [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87218532
Molecular FormulaC15H9FN2O4S
Molecular Weight332.31 g/mol
Exact Mass332.03
IUPAC Name[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(-c2ccco2)c(C(=O)c2ccccc2F)s1
InChIInChI=1S/C15H9FN2O4S/c16-9-5-2-1-4-8(9)12(19)13-11(10-6-3-7-22-10)17-14(23-13)18-15(20)21/h1-7H,(H,17,18)(H,20,21)
InChIKeyDYOXQQUYHVULLP-UHFFFAOYSA-N
XLogP3.86
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218248
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218529
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 9328717
tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate
CID 23144140
N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide
CID 23144669
[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218339
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 23144525
[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218784
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
CID 87275513

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid (CID 87218532) is [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1nc(-c2ccco2)c(C(=O)c2ccccc2F)s1.
What is the InChIKey of [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is DYOXQQUYHVULLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O4S/c16-9-5-2-1-4-8(9)12(19)13-11(10-6-3-7-22-10)17-14(23-13)18-15(20)21/h1-7H,(H,17,18)(H,20,21).
What are the key properties of [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 332.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87218532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).