2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile

C10H6ClN3S — CID 83541019

IUPAC2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClN3S/c11-7-3-1-6(2-4-7)9-8(5-12)15-10(13)14-9/h1-4H,(H2,13,14)
InChIKeyOHHIZLRCGPCZLS-UHFFFAOYSA-N
MW235.70 g/mol
LogP2.92
Rot. Bonds1

About 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile

2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 83541019) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID83541019
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClN3S/c11-7-3-1-6(2-4-7)9-8(5-12)15-10(13)14-9/h1-4H,(H2,13,14)
InChIKeyOHHIZLRCGPCZLS-UHFFFAOYSA-N
XLogP2.92
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile (CID 83541019) is 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile is N#Cc1sc(N)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is OHHIZLRCGPCZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-7-3-1-6(2-4-7)9-8(5-12)15-10(13)14-9/h1-4H,(H2,13,14).
What are the key properties of 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile?
2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 235.70 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 83541019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).