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

C12H12Cl2N2OS2 — CID 741714

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2OS2/c1-12(2,3)10(17)16-11-15-7(5-18-11)6-4-8(13)19-9(6)14/h4-5H,1-3H3,(H,15,16,17)
InChIKeyAQMSBYRYGRMVRV-UHFFFAOYSA-N
MW335.28 g/mol
LogP5.16
Rot. Bonds2

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 741714) has the molecular formula C12H12Cl2N2OS2 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID741714
Molecular FormulaC12H12Cl2N2OS2
Molecular Weight335.28 g/mol
Exact Mass333.98
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2OS2/c1-12(2,3)10(17)16-11-15-7(5-18-11)6-4-8(13)19-9(6)14/h4-5H,1-3H3,(H,15,16,17)
InChIKeyAQMSBYRYGRMVRV-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.28
LogP ≤ 55.16
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 741714) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is AQMSBYRYGRMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS2/c1-12(2,3)10(17)16-11-15-7(5-18-11)6-4-8(13)19-9(6)14/h4-5H,1-3H3,(H,15,16,17).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 335.28 g/mol, XLogP of 5.16, 2 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 741714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).