5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole

C20H17Cl2NOS — CID 141341682

IUPAC5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(OC3CCc4c(Cl)cc(Cl)cc43)cc2)s1
InChIInChI=1S/C20H17Cl2NOS/c1-11-20(25-12(2)23-11)13-3-5-15(6-4-13)24-19-8-7-16-17(19)9-14(21)10-18(16)22/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyUQOUCMSQQBOAAR-UHFFFAOYSA-N
MW390.34 g/mol
LogP6.80
Rot. Bonds3

About 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole

5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 141341682) has the molecular formula C20H17Cl2NOS and a molecular weight of 390.34 g/mol. Its IUPAC name is 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole
PubChem CID141341682
Molecular FormulaC20H17Cl2NOS
Molecular Weight390.34 g/mol
Exact Mass389.04
IUPAC Name5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(OC3CCc4c(Cl)cc(Cl)cc43)cc2)s1
InChIInChI=1S/C20H17Cl2NOS/c1-11-20(25-12(2)23-11)13-3-5-15(6-4-13)24-19-8-7-16-17(19)9-14(21)10-18(16)22/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyUQOUCMSQQBOAAR-UHFFFAOYSA-N
XLogP6.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole with MolForge

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Related Compounds

4-[4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3,5-dimethyl-1,2,4-triazole
CID 173094096
4-[[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]benzenethiol
CID 139298700
(2R,3R)-N,N'-bis[2-[2-[2-[[4-[[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide
CID 163788913
(3R)-1-[(1S,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58394109
(3R)-1-[(1R,2S)-4,6-dichloro-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67337206
(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene
CID 94828375
4-[4-[[4,6-dichloro-2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3,5-dimethyl-1,2-oxazole
CID 76775247
1-[(1S,2S)-4,6-dichloro-1-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67310643
5-(4-ethyl-3-methoxyphenyl)-2,4-dimethyl-1,3-thiazole
CID 90292646
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
(2S,3R,4S,5S)-2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenoxy]thiane-3,4,5-triol
CID 67397151
(4Z)-2-[4-[(4-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocine-4,8-diol
CID 123224029

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole (CID 141341682) is 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2ccc(OC3CCc4c(Cl)cc(Cl)cc43)cc2)s1.
What is the InChIKey of 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is UQOUCMSQQBOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NOS/c1-11-20(25-12(2)23-11)13-3-5-15(6-4-13)24-19-8-7-16-17(19)9-14(21)10-18(16)22/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole?
5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 390.34 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 141341682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).