N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide

C17H15FN4OS — CID 97228566

IUPACN-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
SMILESCc1cn2c(CCC(=O)N[C@@H](C#N)c3ccccc3F)csc2n1
InChIInChI=1S/C17H15FN4OS/c1-11-9-22-12(10-24-17(22)20-11)6-7-16(23)21-15(8-19)13-4-2-3-5-14(13)18/h2-5,9-10,15H,6-7H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyIVNZGUTVMJFNKE-HNNXBMFYSA-N
MW342.40 g/mol
LogP3.16
Rot. Bonds5

About N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide

N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (PubChem CID 97228566) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
PubChem CID97228566
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
SMILESCc1cn2c(CCC(=O)N[C@@H](C#N)c3ccccc3F)csc2n1
InChIInChI=1S/C17H15FN4OS/c1-11-9-22-12(10-24-17(22)20-11)6-7-16(23)21-15(8-19)13-4-2-3-5-14(13)18/h2-5,9-10,15H,6-7H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyIVNZGUTVMJFNKE-HNNXBMFYSA-N
XLogP3.16
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The IUPAC name of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (CID 97228566) is N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The canonical SMILES for N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is Cc1cn2c(CCC(=O)N[C@@H](C#N)c3ccccc3F)csc2n1.
What is the InChIKey of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The InChIKey is IVNZGUTVMJFNKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-11-9-22-12(10-24-17(22)20-11)6-7-16(23)21-15(8-19)13-4-2-3-5-14(13)18/h2-5,9-10,15H,6-7H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is sourced from PubChem (CID 97228566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).