N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide

C15H13N3O3S — CID 977882

IUPACN-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1=NCCS1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C15H13N3O3S/c19-13(18-15-16-6-8-22-15)10-3-1-4-11(9-10)17-14(20)12-5-2-7-21-12/h1-5,7,9H,6,8H2,(H,17,20)(H,16,18,19)
InChIKeyXWCWNSCSXVWDSW-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.36
Rot. Bonds3

About N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide

N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 977882) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID977882
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1=NCCS1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C15H13N3O3S/c19-13(18-15-16-6-8-22-15)10-3-1-4-11(9-10)17-14(20)12-5-2-7-21-12/h1-5,7,9H,6,8H2,(H,17,20)(H,16,18,19)
InChIKeyXWCWNSCSXVWDSW-UHFFFAOYSA-N
XLogP2.36
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 977882) is N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NC1=NCCS1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is XWCWNSCSXVWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-13(18-15-16-6-8-22-15)10-3-1-4-11(9-10)17-14(20)12-5-2-7-21-12/h1-5,7,9H,6,8H2,(H,17,20)(H,16,18,19).
What are the key properties of N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 977882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).