5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C19H24N4S — CID 133180496

IUPAC5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC1CN2C(=NC(c3ccccn3)C2c2ccn(C(C)(C)C)c2)S1
InChIInChI=1S/C19H24N4S/c1-13-11-23-17(14-8-10-22(12-14)19(2,3)4)16(21-18(23)24-13)15-7-5-6-9-20-15/h5-10,12-13,16-17H,11H2,1-4H3
InChIKeyHZLLCEALRSHAFC-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.23
Rot. Bonds2

About 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180496) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID133180496
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC1CN2C(=NC(c3ccccn3)C2c2ccn(C(C)(C)C)c2)S1
InChIInChI=1S/C19H24N4S/c1-13-11-23-17(14-8-10-22(12-14)19(2,3)4)16(21-18(23)24-13)15-7-5-6-9-20-15/h5-10,12-13,16-17H,11H2,1-4H3
InChIKeyHZLLCEALRSHAFC-UHFFFAOYSA-N
XLogP4.23
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5R,6R)-2-methyl-5-(1-phenylpyrrol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051387
(2R,5R,6R)-2-methyl-5-(1-propan-2-ylpyrrol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050928
(2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056618
(2R,5R,6R)-5-(4-fluorophenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053426
(2R,5R,6R)-2-methyl-6-pyridin-2-yl-5-pyridin-3-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052672
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
2-methyl-5-(4-piperidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180510
(2R,5S,6R)-5-(1-ethylpyrrol-2-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052653
2-methyl-6-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180438
5-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180619
5-(1-ethyl-5-methylpyrrol-2-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180613

Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180496) is 5-(1-tert-butylpyrrol-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 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CC1CN2C(=NC(c3ccccn3)C2c2ccn(C(C)(C)C)c2)S1.
What is the InChIKey of 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is HZLLCEALRSHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-13-11-23-17(14-8-10-22(12-14)19(2,3)4)16(21-18(23)24-13)15-7-5-6-9-20-15/h5-10,12-13,16-17H,11H2,1-4H3.
What are the key properties of 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 340.50 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).