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

C10H11N3O3S — CID 17413529

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NC1=NCCS1
InChIInChI=1S/C10H11N3O3S/c14-8(13-10-11-3-5-17-10)6-12-9(15)7-2-1-4-16-7/h1-2,4H,3,5-6H2,(H,12,15)(H,11,13,14)
InChIKeyWYSJTBAJDODIMC-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.23
Rot. Bonds3

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

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 17413529) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID17413529
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NC1=NCCS1
InChIInChI=1S/C10H11N3O3S/c14-8(13-10-11-3-5-17-10)6-12-9(15)7-2-1-4-16-7/h1-2,4H,3,5-6H2,(H,12,15)(H,11,13,14)
InChIKeyWYSJTBAJDODIMC-UHFFFAOYSA-N
XLogP0.23
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667
N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]furan-2-carboxamide
CID 61393852
N-[2-[[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43035097
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide
CID 175053014
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylfuran-3-carboxamide
CID 4063650
3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528451
2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63615187

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide (CID 17413529) is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NC1=NCCS1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WYSJTBAJDODIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c14-8(13-10-11-3-5-17-10)6-12-9(15)7-2-1-4-16-7/h1-2,4H,3,5-6H2,(H,12,15)(H,11,13,14).
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 17413529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).