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4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide

C17H12Cl2N4OS — CID 154839930

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(C#N)c[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H12Cl2N4OS/c1-9(22-16(24)14-4-10(6-20)7-21-14)17-23-15(8-25-17)12-3-2-11(18)5-13(12)19/h2-5,7-9,21H,1H3,(H,22,24)
InChIKeyDWZNMQQYGLMSTN-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.81
Rot. Bonds4

About 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 154839930) has the molecular formula C17H12Cl2N4OS and a molecular weight of 391.28 g/mol. Its IUPAC name is 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID154839930
Molecular FormulaC17H12Cl2N4OS
Molecular Weight391.28 g/mol
Exact Mass390.01
IUPAC Name4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(C#N)c[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H12Cl2N4OS/c1-9(22-16(24)14-4-10(6-20)7-21-14)17-23-15(8-25-17)12-3-2-11(18)5-13(12)19/h2-5,7-9,21H,1H3,(H,22,24)
InChIKeyDWZNMQQYGLMSTN-UHFFFAOYSA-N
XLogP4.81
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 154839930) is 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(C#N)c[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DWZNMQQYGLMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4OS/c1-9(22-16(24)14-4-10(6-20)7-21-14)17-23-15(8-25-17)12-3-2-11(18)5-13(12)19/h2-5,7-9,21H,1H3,(H,22,24).
What are the key properties of 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 391.28 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 154839930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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