N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide

C19H19N3O4S — CID 26723709

IUPACN-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccco2)n1
InChIInChI=1S/C19H19N3O4S/c1-12-5-6-15(25-2)13(10-12)14-11-27-19(21-14)22-17(23)7-8-20-18(24)16-4-3-9-26-16/h3-6,9-11H,7-8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyMLKVWRNDYQFSPI-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.48
Rot. Bonds7

About N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 26723709) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID26723709
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccco2)n1
InChIInChI=1S/C19H19N3O4S/c1-12-5-6-15(25-2)13(10-12)14-11-27-19(21-14)22-17(23)7-8-20-18(24)16-4-3-9-26-16/h3-6,9-11H,7-8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyMLKVWRNDYQFSPI-UHFFFAOYSA-N
XLogP3.48
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide with MolForge

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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-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26723816
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
N-[3-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 39017008
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 18077952
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 32649718
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide (CID 26723709) is N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide is COc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccco2)n1.
What is the InChIKey of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is MLKVWRNDYQFSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-5-6-15(25-2)13(10-12)14-11-27-19(21-14)22-17(23)7-8-20-18(24)16-4-3-9-26-16/h3-6,9-11H,7-8H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 26723709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).