N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H18N2O2S — CID 3602054

IUPACN-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C18H18N2O2S/c1-12(2)10-13-5-7-14(8-6-13)15-11-23-18(19-15)20-17(21)16-4-3-9-22-16/h3-9,11-12H,10H2,1-2H3,(H,19,20,21)
InChIKeyLQOOGNQQLALDLE-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.85
Rot. Bonds5

About N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 3602054) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID3602054
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C18H18N2O2S/c1-12(2)10-13-5-7-14(8-6-13)15-11-23-18(19-15)20-17(21)16-4-3-9-22-16/h3-9,11-12H,10H2,1-2H3,(H,19,20,21)
InChIKeyLQOOGNQQLALDLE-UHFFFAOYSA-N
XLogP4.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512059
4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 5019698
N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
CID 41097129
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 5189865
N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 2114344
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 3601096

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 3602054) is N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CC(C)Cc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is LQOOGNQQLALDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12(2)10-13-5-7-14(8-6-13)15-11-23-18(19-15)20-17(21)16-4-3-9-22-16/h3-9,11-12H,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 3602054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).