N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C18H16BrN3O3S — CID 112768087

IUPACN-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)C(C)NC(=O)c2ccco2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-10(20-17(24)14-4-3-9-25-14)16(23)22-18-21-15(11(2)26-18)12-5-7-13(19)8-6-12/h3-10H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyGFGOGPQUTZTRAU-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.23
Rot. Bonds5

About N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 112768087) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID112768087
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC NameN-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)C(C)NC(=O)c2ccco2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-10(20-17(24)14-4-3-9-25-14)16(23)22-18-21-15(11(2)26-18)12-5-7-13(19)8-6-12/h3-10H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyGFGOGPQUTZTRAU-UHFFFAOYSA-N
XLogP4.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55823503
N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94795898
N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 42146259
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19229440
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 112768087) is N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is Cc1sc(NC(=O)C(C)NC(=O)c2ccco2)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is GFGOGPQUTZTRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c1-10(20-17(24)14-4-3-9-25-14)16(23)22-18-21-15(11(2)26-18)12-5-7-13(19)8-6-12/h3-10H,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 112768087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).