4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole

C15H16N6S — CID 110099733

IUPAC4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2cnc(C3CCCN3Cc3cscn3)cn2)n1
InChIInChI=1S/C15H16N6S/c1-2-14(21(5-1)8-11-9-22-10-20-11)12-6-19-13(7-18-12)15-16-3-4-17-15/h3-4,6-7,9-10,14H,1-2,5,8H2,(H,16,17)
InChIKeyYHLDKRUWNXOVDF-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.66
Rot. Bonds4

About 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099733) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099733
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC Name4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2cnc(C3CCCN3Cc3cscn3)cn2)n1
InChIInChI=1S/C15H16N6S/c1-2-14(21(5-1)8-11-9-22-10-20-11)12-6-19-13(7-18-12)15-16-3-4-17-15/h3-4,6-7,9-10,14H,1-2,5,8H2,(H,16,17)
InChIKeyYHLDKRUWNXOVDF-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 110099733) is 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is c1c[nH]c(-c2cnc(C3CCCN3Cc3cscn3)cn2)n1.
What is the InChIKey of 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is YHLDKRUWNXOVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-2-14(21(5-1)8-11-9-22-10-20-11)12-6-19-13(7-18-12)15-16-3-4-17-15/h3-4,6-7,9-10,14H,1-2,5,8H2,(H,16,17).
What are the key properties of 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 312.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).