N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide

C10H12N2O2S — CID 7534969

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2=NCCS2)c(C)o1
InChIInChI=1S/C10H12N2O2S/c1-6-5-8(7(2)14-6)9(13)12-10-11-3-4-15-10/h5H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGRXJAPRPWVBNIL-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.73
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 7534969) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID7534969
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2=NCCS2)c(C)o1
InChIInChI=1S/C10H12N2O2S/c1-6-5-8(7(2)14-6)9(13)12-10-11-3-4-15-10/h5H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGRXJAPRPWVBNIL-UHFFFAOYSA-N
XLogP1.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 7534969) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2=NCCS2)c(C)o1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is GRXJAPRPWVBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6-5-8(7(2)14-6)9(13)12-10-11-3-4-15-10/h5H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 7534969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).