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

C18H17N3O4S — CID 55888004

IUPACN-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccccc1N(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C18H17N3O4S/c1-21(13-6-3-4-7-14(13)24-2)16(22)10-12-11-26-18(19-12)20-17(23)15-8-5-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,20,23)
InChIKeyVDMODCULMQCSAU-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.20
Rot. Bonds6

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

N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55888004) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID55888004
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccccc1N(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C18H17N3O4S/c1-21(13-6-3-4-7-14(13)24-2)16(22)10-12-11-26-18(19-12)20-17(23)15-8-5-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,20,23)
InChIKeyVDMODCULMQCSAU-UHFFFAOYSA-N
XLogP3.20
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55886988
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27886628
N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 47868198
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41160004
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27163763
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927547
N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55901042
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55882220

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55888004) is N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is COc1ccccc1N(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is VDMODCULMQCSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-21(13-6-3-4-7-14(13)24-2)16(22)10-12-11-26-18(19-12)20-17(23)15-8-5-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,20,23).
What are the key properties of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55888004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).