N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H16BrN3O3S — CID 42208780

IUPACN-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C18H16BrN3O3S/c1-11-9-12(19)4-6-14(11)21-16(23)7-5-13-10-26-18(20-13)22-17(24)15-3-2-8-25-15/h2-4,6,8-10H,5,7H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyYLWFJPUFADGZMC-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.63
Rot. Bonds6

About N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 42208780) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID42208780
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC NameN-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C18H16BrN3O3S/c1-11-9-12(19)4-6-14(11)21-16(23)7-5-13-10-26-18(20-13)22-17(24)15-3-2-8-25-15/h2-4,6,8-10H,5,7H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyYLWFJPUFADGZMC-UHFFFAOYSA-N
XLogP4.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208778
N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55374245
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 42208461
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208479
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208460
ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
CID 42208796
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide
CID 110866599
N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208657

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 42208780) is N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1cc(Br)ccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is YLWFJPUFADGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c1-11-9-12(19)4-6-14(11)21-16(23)7-5-13-10-26-18(20-13)22-17(24)15-3-2-8-25-15/h2-4,6,8-10H,5,7H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42208780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).