(2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C21H28N4OS — CID 125055996

IUPAC(2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOCCn1c(C)c(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C
InChIInChI=1S/C21H28N4OS/c1-13-12-25-20(18-14(2)15(3)24(16(18)4)10-11-26-5)19(23-21(25)27-13)17-8-6-7-9-22-17/h6-9,13,19-20H,10-12H2,1-5H3/t13-,19+,20-/m1/s1
InChIKeySVNXKYFPMAQUBX-CAYVGHNUSA-N
MW384.55 g/mol
LogP4.04
Rot. Bonds5

About (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125055996) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125055996
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name(2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOCCn1c(C)c(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C
InChIInChI=1S/C21H28N4OS/c1-13-12-25-20(18-14(2)15(3)24(16(18)4)10-11-26-5)19(23-21(25)27-13)17-8-6-7-9-22-17/h6-9,13,19-20H,10-12H2,1-5H3/t13-,19+,20-/m1/s1
InChIKeySVNXKYFPMAQUBX-CAYVGHNUSA-N
XLogP4.04
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125055996) is (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is COCCn1c(C)c(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C.
What is the InChIKey of (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is SVNXKYFPMAQUBX-CAYVGHNUSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-13-12-25-20(18-14(2)15(3)24(16(18)4)10-11-26-5)19(23-21(25)27-13)17-8-6-7-9-22-17/h6-9,13,19-20H,10-12H2,1-5H3/t13-,19+,20-/m1/s1.
What are the key properties of (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 384.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125055996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).