(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide

C8H8N2O2S — CID 946135

IUPAC(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide
SMILESNC(=O)/C(=C/c1ccco1)C(N)=S
InChIInChI=1S/C8H8N2O2S/c9-7(11)6(8(10)13)4-5-2-1-3-12-5/h1-4H,(H2,9,11)(H2,10,13)/b6-4-
InChIKeyHFTVKVQEKQYCRE-XQRVVYSFSA-N
MW196.23 g/mol
LogP0.43
Rot. Bonds3

About (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide

(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 946135) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide
PubChem CID946135
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide
SMILESNC(=O)/C(=C/c1ccco1)C(N)=S
InChIInChI=1S/C8H8N2O2S/c9-7(11)6(8(10)13)4-5-2-1-3-12-5/h1-4H,(H2,9,11)(H2,10,13)/b6-4-
InChIKeyHFTVKVQEKQYCRE-XQRVVYSFSA-N
XLogP0.43
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
2-(furan-2-ylmethylidene)-N,N'-bis(phenylcarbamothioyl)propanediamide
CID 2318874
N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2885104
(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid
CID 690378
(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 55254010
N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 2252967
ethyl 4,4-diethoxy-2-(furan-2-ylmethylidene)-3-oxobutanoate
CID 70073300
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
2-[(E)-2-bromo-2-fluoroethenyl]furan
CID 119081936
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609
furan-2-carbaldehyde
CID 76972982

Frequently Asked Questions

What is the IUPAC name of (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide (CID 946135) is (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide is NC(=O)/C(=C/c1ccco1)C(N)=S.
What is the InChIKey of (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is HFTVKVQEKQYCRE-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-7(11)6(8(10)13)4-5-2-1-3-12-5/h1-4H,(H2,9,11)(H2,10,13)/b6-4-.
What are the key properties of (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide?
(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 196.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 946135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).