N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

C13H16N2O3S — CID 110383767

IUPACN-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(-c2csc(C)n2)o1
InChIInChI=1S/C13H16N2O3S/c1-9-15-10(8-19-9)11-4-5-12(18-11)13(16)14-6-3-7-17-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyANIIZMIKIBVIIA-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.48
Rot. Bonds6

About N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (PubChem CID 110383767) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
PubChem CID110383767
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(-c2csc(C)n2)o1
InChIInChI=1S/C13H16N2O3S/c1-9-15-10(8-19-9)11-4-5-12(18-11)13(16)14-6-3-7-17-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyANIIZMIKIBVIIA-UHFFFAOYSA-N
XLogP2.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383812
N-cyclopentyl-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383761
N-(4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383858
N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383889
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
5-(2-aminophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687714
N-(2-bromophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383894
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
N-(2-methoxyethyl)-1-(3-methoxypropyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3476879
1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 71251029
5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687739
N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383906

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (CID 110383767) is N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is COCCCNC(=O)c1ccc(-c2csc(C)n2)o1.
What is the InChIKey of N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The InChIKey is ANIIZMIKIBVIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9-15-10(8-19-9)11-4-5-12(18-11)13(16)14-6-3-7-17-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 110383767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).