4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide

C9H10N4O2S — CID 175053014

IUPAC4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide
SMILESN#CNC1=NCCS1.NC(=O)c1ccco1
InChIInChI=1S/C5H5NO2.C4H5N3S/c6-5(7)4-2-1-3-8-4;5-3-7-4-6-1-2-8-4/h1-3H,(H2,6,7);1-2H2,(H,6,7)
InChIKeyCHBZHJMHTRWQKM-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.54
Rot. Bonds1

About 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide

4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide (PubChem CID 175053014) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide
PubChem CID175053014
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide
SMILESN#CNC1=NCCS1.NC(=O)c1ccco1
InChIInChI=1S/C5H5NO2.C4H5N3S/c6-5(7)4-2-1-3-8-4;5-3-7-4-6-1-2-8-4/h1-3H,(H2,6,7);1-2H2,(H,6,7)
InChIKeyCHBZHJMHTRWQKM-UHFFFAOYSA-N
XLogP0.54
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 17413529
furan-2-carboxamide;molecular hydrogen
CID 145259960
N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43535842
(Z)-but-2-enedioic acid;furan-2-carboxamide
CID 161348796
3-amino-3-(furan-2-yl)prop-2-enenitrile
CID 69283548
(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108842319
(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile
CID 11332786
furan-2-yl(phosphanyl)methanone
CID 151549332
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 7534970
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
Se-(furan-2-carbonylselanyl) furan-2-carboselenoate
CID 14909312

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide?
The IUPAC name of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide (CID 175053014) is 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide is N#CNC1=NCCS1.NC(=O)c1ccco1.
What is the InChIKey of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide?
The InChIKey is CHBZHJMHTRWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C4H5N3S/c6-5(7)4-2-1-3-8-4;5-3-7-4-6-1-2-8-4/h1-3H,(H2,6,7);1-2H2,(H,6,7).
What are the key properties of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide?
4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide is sourced from PubChem (CID 175053014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).