N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C13H16N4OS2 — CID 126768858

IUPACN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)c1cscn1
InChIInChI=1S/C13H16N4OS2/c18-12(11-8-19-9-15-11)14-4-3-10-7-20-13(16-10)17-5-1-2-6-17/h7-9H,1-6H2,(H,14,18)
InChIKeyOLNIIRYQRJXRGE-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 126768858) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID126768858
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)c1cscn1
InChIInChI=1S/C13H16N4OS2/c18-12(11-8-19-9-15-11)14-4-3-10-7-20-13(16-10)17-5-1-2-6-17/h7-9H,1-6H2,(H,14,18)
InChIKeyOLNIIRYQRJXRGE-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 126768858) is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1csc(N2CCCC2)n1)c1cscn1.
What is the InChIKey of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OLNIIRYQRJXRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c18-12(11-8-19-9-15-11)14-4-3-10-7-20-13(16-10)17-5-1-2-6-17/h7-9H,1-6H2,(H,14,18).
What are the key properties of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126768858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).