2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole

C16H16N6S — CID 22380309

IUPAC2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCC(C)c1cc2nc(Cn3ccnc3-c3nccs3)[nH]c2cn1
InChIInChI=1S/C16H16N6S/c1-10(2)11-7-12-13(8-19-11)21-14(20-12)9-22-5-3-17-15(22)16-18-4-6-23-16/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyAKLQCQSWAZSLNM-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.45
Rot. Bonds4

About 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole

2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 22380309) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
PubChem CID22380309
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCC(C)c1cc2nc(Cn3ccnc3-c3nccs3)[nH]c2cn1
InChIInChI=1S/C16H16N6S/c1-10(2)11-7-12-13(8-19-11)21-14(20-12)9-22-5-3-17-15(22)16-18-4-6-23-16/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyAKLQCQSWAZSLNM-UHFFFAOYSA-N
XLogP3.45
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole (CID 22380309) is 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole is CC(C)c1cc2nc(Cn3ccnc3-c3nccs3)[nH]c2cn1.
What is the InChIKey of 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is AKLQCQSWAZSLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-10(2)11-7-12-13(8-19-11)21-14(20-12)9-22-5-3-17-15(22)16-18-4-6-23-16/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 324.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 22380309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).