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

C15H10Cl2N2OS2 — CID 4200465

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1
InChIInChI=1S/C15H10Cl2N2OS2/c1-8-2-4-9(5-3-8)14(20)19-15-18-11(7-21-15)10-6-12(16)22-13(10)17/h2-7H,1H3,(H,18,19,20)
InChIKeyRHVHNNKSHMILLK-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.74
Rot. Bonds3

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 4200465) has the molecular formula C15H10Cl2N2OS2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID4200465
Molecular FormulaC15H10Cl2N2OS2
Molecular Weight369.30 g/mol
Exact Mass367.96
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1
InChIInChI=1S/C15H10Cl2N2OS2/c1-8-2-4-9(5-3-8)14(20)19-15-18-11(7-21-15)10-6-12(16)22-13(10)17/h2-7H,1H3,(H,18,19,20)
InChIKeyRHVHNNKSHMILLK-UHFFFAOYSA-N
XLogP5.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.74
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]-4-methylbenzamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide (CID 4200465) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is RHVHNNKSHMILLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS2/c1-8-2-4-9(5-3-8)14(20)19-15-18-11(7-21-15)10-6-12(16)22-13(10)17/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 369.30 g/mol, XLogP of 5.74, 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]-4-methylbenzamide is sourced from PubChem (CID 4200465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).