N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide

C11H16BrN3OS — CID 106974482

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ncc(Br)s2)CCCN1
InChIInChI=1S/C11H16BrN3OS/c1-2-4-11(5-3-6-14-11)9(16)15-10-13-7-8(12)17-10/h7,14H,2-6H2,1H3,(H,13,15,16)
InChIKeyVGOPZEISNIKDPZ-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.77
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974482) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974482
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ncc(Br)s2)CCCN1
InChIInChI=1S/C11H16BrN3OS/c1-2-4-11(5-3-6-14-11)9(16)15-10-13-7-8(12)17-10/h7,14H,2-6H2,1H3,(H,13,15,16)
InChIKeyVGOPZEISNIKDPZ-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide (CID 106974482) is N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ncc(Br)s2)CCCN1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is VGOPZEISNIKDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-2-4-11(5-3-6-14-11)9(16)15-10-13-7-8(12)17-10/h7,14H,2-6H2,1H3,(H,13,15,16).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).