N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide

C14H8Cl2N2OS2 — CID 4168447

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1
InChIInChI=1S/C14H8Cl2N2OS2/c15-11-6-9(12(16)21-11)10-7-20-14(17-10)18-13(19)8-4-2-1-3-5-8/h1-7H,(H,17,18,19)
InChIKeyPAXVTQTZQGGPFN-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.43
Rot. Bonds3

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4168447) has the molecular formula C14H8Cl2N2OS2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID4168447
Molecular FormulaC14H8Cl2N2OS2
Molecular Weight355.27 g/mol
Exact Mass353.95
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1
InChIInChI=1S/C14H8Cl2N2OS2/c15-11-6-9(12(16)21-11)10-7-20-14(17-10)18-13(19)8-4-2-1-3-5-8/h1-7H,(H,17,18,19)
InChIKeyPAXVTQTZQGGPFN-UHFFFAOYSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide (CID 4168447) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PAXVTQTZQGGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS2/c15-11-6-9(12(16)21-11)10-7-20-14(17-10)18-13(19)8-4-2-1-3-5-8/h1-7H,(H,17,18,19).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 355.27 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4168447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).