[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate

C16H15N3O4S — CID 87301577

IUPAC[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate
SMILESN#Cc1sc(NC(=O)C2CCC(OC=O)CC2)nc1-c1ccco1
InChIInChI=1S/C16H15N3O4S/c17-8-13-14(12-2-1-7-22-12)18-16(24-13)19-15(21)10-3-5-11(6-4-10)23-9-20/h1-2,7,9-11H,3-6H2,(H,18,19,21)
InChIKeyJVCMUGOIVMKVEU-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.95
Rot. Bonds5

About [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate

[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate (PubChem CID 87301577) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate.

Molecular Properties

Compound Name[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate
PubChem CID87301577
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate
SMILESN#Cc1sc(NC(=O)C2CCC(OC=O)CC2)nc1-c1ccco1
InChIInChI=1S/C16H15N3O4S/c17-8-13-14(12-2-1-7-22-12)18-16(24-13)19-15(21)10-3-5-11(6-4-10)23-9-20/h1-2,7,9-11H,3-6H2,(H,18,19,21)
InChIKeyJVCMUGOIVMKVEU-UHFFFAOYSA-N
XLogP2.95
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate?
The IUPAC name of [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate (CID 87301577) is [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate.
What is the SMILES notation for [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate?
The canonical SMILES for [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate is N#Cc1sc(NC(=O)C2CCC(OC=O)CC2)nc1-c1ccco1.
What is the InChIKey of [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate?
The InChIKey is JVCMUGOIVMKVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c17-8-13-14(12-2-1-7-22-12)18-16(24-13)19-15(21)10-3-5-11(6-4-10)23-9-20/h1-2,7,9-11H,3-6H2,(H,18,19,21).
What are the key properties of [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate?
[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate has a molecular weight of 345.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate is sourced from PubChem (CID 87301577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).