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

C16H15N3OS — CID 110445340

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccc[nH]1
InChIInChI=1S/C16H15N3OS/c20-16(13-7-4-9-17-13)18-10-8-15-19-14(11-21-15)12-5-2-1-3-6-12/h1-7,9,11,17H,8,10H2,(H,18,20)
InChIKeyVEBLWVWVOPNEPF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.11
Rot. Bonds5

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

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 110445340) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID110445340
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccc[nH]1
InChIInChI=1S/C16H15N3OS/c20-16(13-7-4-9-17-13)18-10-8-15-19-14(11-21-15)12-5-2-1-3-6-12/h1-7,9,11,17H,8,10H2,(H,18,20)
InChIKeyVEBLWVWVOPNEPF-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 110445340) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCc1nc(-c2ccccc2)cs1)c1ccc[nH]1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VEBLWVWVOPNEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-16(13-7-4-9-17-13)18-10-8-15-19-14(11-21-15)12-5-2-1-3-6-12/h1-7,9,11,17H,8,10H2,(H,18,20).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110445340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).