2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole

C13H13ClN4O3S — CID 141236440

IUPAC2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole
SMILESO=[N+]([O-])/C(=C\c1ccco1)C1NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C13H13ClN4O3S/c14-13-16-7-10(22-13)8-17-4-3-15-12(17)11(18(19)20)6-9-2-1-5-21-9/h1-2,5-7,12,15H,3-4,8H2/b11-6-
InChIKeySWSVXBLIKVJPDT-WDZFZDKYSA-N
MW340.79 g/mol
LogP2.44
Rot. Bonds5

About 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole

2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 141236440) has the molecular formula C13H13ClN4O3S and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole
PubChem CID141236440
Molecular FormulaC13H13ClN4O3S
Molecular Weight340.79 g/mol
Exact Mass340.04
IUPAC Name2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole
SMILESO=[N+]([O-])/C(=C\c1ccco1)C1NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C13H13ClN4O3S/c14-13-16-7-10(22-13)8-17-4-3-15-12(17)11(18(19)20)6-9-2-1-5-21-9/h1-2,5-7,12,15H,3-4,8H2/b11-6-
InChIKeySWSVXBLIKVJPDT-WDZFZDKYSA-N
XLogP2.44
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole 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 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole (CID 141236440) is 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole is O=[N+]([O-])/C(=C\c1ccco1)C1NCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SWSVXBLIKVJPDT-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H13ClN4O3S/c14-13-16-7-10(22-13)8-17-4-3-15-12(17)11(18(19)20)6-9-2-1-5-21-9/h1-2,5-7,12,15H,3-4,8H2/b11-6-.
What are the key properties of 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.79 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]imidazolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 141236440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).