N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide

C12H16N2O3S — CID 2382017

IUPACN-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)NC1CCC(O)CC1)c1ccco1
InChIInChI=1S/C12H16N2O3S/c15-9-5-3-8(4-6-9)13-12(18)14-11(16)10-2-1-7-17-10/h1-2,7-9,15H,3-6H2,(H2,13,14,16,18)
InChIKeyUCMKRAUSDVROPX-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.19
Rot. Bonds2

About N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide

N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide (PubChem CID 2382017) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide
PubChem CID2382017
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)NC1CCC(O)CC1)c1ccco1
InChIInChI=1S/C12H16N2O3S/c15-9-5-3-8(4-6-9)13-12(18)14-11(16)10-2-1-7-17-10/h1-2,7-9,15H,3-6H2,(H2,13,14,16,18)
InChIKeyUCMKRAUSDVROPX-UHFFFAOYSA-N
XLogP1.19
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide (CID 2382017) is N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)NC1CCC(O)CC1)c1ccco1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is UCMKRAUSDVROPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-9-5-3-8(4-6-9)13-12(18)14-11(16)10-2-1-7-17-10/h1-2,7-9,15H,3-6H2,(H2,13,14,16,18).
What are the key properties of N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide?
N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 2382017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).