2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene

C16H12ClNOS — CID 21409028

IUPAC2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCOc1cc2cc-2c1.Clc1nc(-c2ccccc2)cs1
InChIInChI=1S/C9H6ClNS.C7H6O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;1-8-7-3-5-2-6(5)4-7/h1-6H;2-4H,1H3
InChIKeyJEESGDQENGKMTF-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds2

About 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene

2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 21409028) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID21409028
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCOc1cc2cc-2c1.Clc1nc(-c2ccccc2)cs1
InChIInChI=1S/C9H6ClNS.C7H6O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;1-8-7-3-5-2-6(5)4-7/h1-6H;2-4H,1H3
InChIKeyJEESGDQENGKMTF-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene with MolForge

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Related Compounds

2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
bicyclo[2.2.0]hexa-1(4),2,5-trien-2-amine;2-chloro-4-phenyl-1,3-thiazole
CID 21408763
1,3-dimethoxy-5-phenylbenzene
CID 11469945
3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 136785678
3-(3-methoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 7837039
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2,5-dichloro-4-(3-methoxy-5-phenylphenyl)pyrimidine
CID 171627180
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene (CID 21409028) is 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene is COc1cc2cc-2c1.Clc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is JEESGDQENGKMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS.C7H6O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;1-8-7-3-5-2-6(5)4-7/h1-6H;2-4H,1H3.
What are the key properties of 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 301.80 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 21409028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).