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

C18H17N3O3S — CID 17392556

IUPACN-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1
InChIInChI=1S/C18H17N3O3S/c1-2-4-16(22)21-18-20-14(11-25-18)12-6-8-13(9-7-12)19-17(23)15-5-3-10-24-15/h3,5-11H,2,4H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyOTAPZAYVVMHSGA-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.39
Rot. Bonds6

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

N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide (PubChem CID 17392556) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
PubChem CID17392556
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1
InChIInChI=1S/C18H17N3O3S/c1-2-4-16(22)21-18-20-14(11-25-18)12-6-8-13(9-7-12)19-17(23)15-5-3-10-24-15/h3,5-11H,2,4H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyOTAPZAYVVMHSGA-UHFFFAOYSA-N
XLogP4.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 2114344
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 17417845
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512059

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide (CID 17392556) is N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide is CCCC(=O)Nc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1.
What is the InChIKey of N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The InChIKey is OTAPZAYVVMHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-4-16(22)21-18-20-14(11-25-18)12-6-8-13(9-7-12)19-17(23)15-5-3-10-24-15/h3,5-11H,2,4H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17392556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).