(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C19H18F3N5OS — CID 148875342

IUPAC(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1nc2sccn2c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C19H18F3N5OS/c1-10-16(26-4-5-29-18(26)25-10)17(28)27-13-2-3-14(27)11(7-13)6-12-8-24-15(9-23-12)19(20,21)22/h4-5,8-9,11,13-14H,2-3,6-7H2,1H3
InChIKeyPBZMQRHCMLUJLC-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.75
Rot. Bonds3

About (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 148875342) has the molecular formula C19H18F3N5OS and a molecular weight of 421.45 g/mol. Its IUPAC name is (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID148875342
Molecular FormulaC19H18F3N5OS
Molecular Weight421.45 g/mol
Exact Mass421.12
IUPAC Name(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1nc2sccn2c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C19H18F3N5OS/c1-10-16(26-4-5-29-18(26)25-10)17(28)27-13-2-3-14(27)11(7-13)6-12-8-24-15(9-23-12)19(20,21)22/h4-5,8-9,11,13-14H,2-3,6-7H2,1H3
InChIKeyPBZMQRHCMLUJLC-UHFFFAOYSA-N
XLogP3.75
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 148875342) is (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1nc2sccn2c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.
What is the InChIKey of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is PBZMQRHCMLUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5OS/c1-10-16(26-4-5-29-18(26)25-10)17(28)27-13-2-3-14(27)11(7-13)6-12-8-24-15(9-23-12)19(20,21)22/h4-5,8-9,11,13-14H,2-3,6-7H2,1H3.
What are the key properties of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 421.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 148875342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).