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

C10H4Cl2N2OS — CID 134975441

IUPAC4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(Oc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C10H4Cl2N2OS/c11-6-1-3-7(4-2-6)15-10-14-9(12)8(5-13)16-10/h1-4H
InChIKeyVKIWEGZFJXCWQP-UHFFFAOYSA-N
MW271.13 g/mol
LogP4.11
Rot. Bonds2

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

4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile (PubChem CID 134975441) has the molecular formula C10H4Cl2N2OS and a molecular weight of 271.13 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile
PubChem CID134975441
Molecular FormulaC10H4Cl2N2OS
Molecular Weight271.13 g/mol
Exact Mass269.94
IUPAC Name4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(Oc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C10H4Cl2N2OS/c11-6-1-3-7(4-2-6)15-10-14-9(12)8(5-13)16-10/h1-4H
InChIKeyVKIWEGZFJXCWQP-UHFFFAOYSA-N
XLogP4.11
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile (CID 134975441) is 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile is N#Cc1sc(Oc2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile?
The InChIKey is VKIWEGZFJXCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N2OS/c11-6-1-3-7(4-2-6)15-10-14-9(12)8(5-13)16-10/h1-4H.
What are the key properties of 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile has a molecular weight of 271.13 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenoxy)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 134975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).