2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole

C22H17N5S — CID 25145097

IUPAC2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole
SMILESCc1nc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cs1
InChIInChI=1S/C22H17N5S/c1-14-26-19(13-28-14)16-10-24-21-25-11-20(27(21)12-16)22(6-7-22)17-4-5-18-15(9-17)3-2-8-23-18/h2-5,8-13H,6-7H2,1H3
InChIKeyNVNQFXMIPLNALJ-UHFFFAOYSA-N
MW383.48 g/mol
LogP4.79
Rot. Bonds3

About 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole

2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole (PubChem CID 25145097) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole
PubChem CID25145097
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC Name2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole
SMILESCc1nc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cs1
InChIInChI=1S/C22H17N5S/c1-14-26-19(13-28-14)16-10-24-21-25-11-20(27(21)12-16)22(6-7-22)17-4-5-18-15(9-17)3-2-8-23-18/h2-5,8-13H,6-7H2,1H3
InChIKeyNVNQFXMIPLNALJ-UHFFFAOYSA-N
XLogP4.79
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole (CID 25145097) is 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole is Cc1nc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cs1.
What is the InChIKey of 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole?
The InChIKey is NVNQFXMIPLNALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S/c1-14-26-19(13-28-14)16-10-24-21-25-11-20(27(21)12-16)22(6-7-22)17-4-5-18-15(9-17)3-2-8-23-18/h2-5,8-13H,6-7H2,1H3.
What are the key properties of 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole?
2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole has a molecular weight of 383.48 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole is sourced from PubChem (CID 25145097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).