4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine

C13H9ClN2S2 — CID 2809410

IUPAC4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccccc3)n2)s1
InChIInChI=1S/C13H9ClN2S2/c14-12-7-6-11(18-12)10-8-17-13(16-10)15-9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyZXQVKHXNVHRVBD-UHFFFAOYSA-N
MW292.82 g/mol
LogP5.27
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine

4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 2809410) has the molecular formula C13H9ClN2S2 and a molecular weight of 292.82 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID2809410
Molecular FormulaC13H9ClN2S2
Molecular Weight292.82 g/mol
Exact Mass291.99
IUPAC Name4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccccc3)n2)s1
InChIInChI=1S/C13H9ClN2S2/c14-12-7-6-11(18-12)10-8-17-13(16-10)15-9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyZXQVKHXNVHRVBD-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.82
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine (CID 2809410) is 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3ccccc3)n2)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ZXQVKHXNVHRVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S2/c14-12-7-6-11(18-12)10-8-17-13(16-10)15-9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 292.82 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2809410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).