3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile

C10H3Cl3N2S — CID 706068

IUPAC3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H3Cl3N2S/c11-5-1-2-6(8(12)3-5)9-7(4-14)10(13)15-16-9/h1-3H
InChIKeyQIVNXKANLATELR-UHFFFAOYSA-N
MW289.57 g/mol
LogP4.64
Rot. Bonds1

About 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile

3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile (PubChem CID 706068) has the molecular formula C10H3Cl3N2S and a molecular weight of 289.57 g/mol. Its IUPAC name is 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile
PubChem CID706068
Molecular FormulaC10H3Cl3N2S
Molecular Weight289.57 g/mol
Exact Mass287.91
IUPAC Name3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H3Cl3N2S/c11-5-1-2-6(8(12)3-5)9-7(4-14)10(13)15-16-9/h1-3H
InChIKeyQIVNXKANLATELR-UHFFFAOYSA-N
XLogP4.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile (CID 706068) is 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is QIVNXKANLATELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3N2S/c11-5-1-2-6(8(12)3-5)9-7(4-14)10(13)15-16-9/h1-3H.
What are the key properties of 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 289.57 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 706068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).