bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole

C15H11ClN2S — CID 21408763

IUPACbicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole
SMILESClc1nc(-c2ccccc2)cs1.Nc1cc2ccc1=2
InChIInChI=1S/C9H6ClNS.C6H5N/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;7-6-3-4-1-2-5(4)6/h1-6H;1-3H,7H2
InChIKeyYISKDYQZAUNHQA-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.33
Rot. Bonds1

About bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole

bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole (PubChem CID 21408763) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole
PubChem CID21408763
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Namebicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole
SMILESClc1nc(-c2ccccc2)cs1.Nc1cc2ccc1=2
InChIInChI=1S/C9H6ClNS.C6H5N/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;7-6-3-4-1-2-5(4)6/h1-6H;1-3H,7H2
InChIKeyYISKDYQZAUNHQA-UHFFFAOYSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-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

Related Compounds

2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
CID 21409028
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylacetic acid
CID 21408462
3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 63990563
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 62501412
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
4-(3-anilinophenyl)-1,3-thiazol-2-amine
CID 155427302
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole?
The IUPAC name of bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole (CID 21408763) is bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole.
What is the SMILES notation for bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole?
The canonical SMILES for bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole is Clc1nc(-c2ccccc2)cs1.Nc1cc2ccc1=2.
What is the InChIKey of bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole?
The InChIKey is YISKDYQZAUNHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS.C6H5N/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;7-6-3-4-1-2-5(4)6/h1-6H;1-3H,7H2.
What are the key properties of bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole?
bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole has a molecular weight of 286.79 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole is sourced from PubChem (CID 21408763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).