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

C16H13Cl2N3OS — CID 154840021

IUPACN-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H13Cl2N3OS/c1-9(20-15(22)13-3-2-6-19-13)16-21-14(8-23-16)11-5-4-10(17)7-12(11)18/h2-9,19H,1H3,(H,20,22)
InChIKeySPNCHRUDUVDRRI-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.94
Rot. Bonds4

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

N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 154840021) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID154840021
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC NameN-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H13Cl2N3OS/c1-9(20-15(22)13-3-2-6-19-13)16-21-14(8-23-16)11-5-4-10(17)7-12(11)18/h2-9,19H,1H3,(H,20,22)
InChIKeySPNCHRUDUVDRRI-UHFFFAOYSA-N
XLogP4.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 154840021) is N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1ccc[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SPNCHRUDUVDRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-9(20-15(22)13-3-2-6-19-13)16-21-14(8-23-16)11-5-4-10(17)7-12(11)18/h2-9,19H,1H3,(H,20,22).
What are the key properties of N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 366.27 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 154840021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).