4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H20N6S — CID 110099460

IUPAC4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCN(Cc4cscn4)C3)ncn2)[nH]1
InChIInChI=1S/C17H20N6S/c1-12-6-18-17(22-12)16-5-14(19-10-20-16)4-13-2-3-23(7-13)8-15-9-24-11-21-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyBTTFCHIWEWRXGG-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.70
Rot. Bonds5

About 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099460) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099460
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCN(Cc4cscn4)C3)ncn2)[nH]1
InChIInChI=1S/C17H20N6S/c1-12-6-18-17(22-12)16-5-14(19-10-20-16)4-13-2-3-23(7-13)8-15-9-24-11-21-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyBTTFCHIWEWRXGG-UHFFFAOYSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 110099460) is 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(-c2cc(CC3CCN(Cc4cscn4)C3)ncn2)[nH]1.
What is the InChIKey of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BTTFCHIWEWRXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-6-18-17(22-12)16-5-14(19-10-20-16)4-13-2-3-23(7-13)8-15-9-24-11-21-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,22).
What are the key properties of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).