3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide

C17H20N4OS — CID 66991749

IUPAC3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide
SMILESCc1cnc(-c2c(NC(=O)CC(C)(C)C)nc3ccccn23)s1
InChIInChI=1S/C17H20N4OS/c1-11-10-18-16(23-11)14-15(20-13(22)9-17(2,3)4)19-12-7-5-6-8-21(12)14/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeyDJNXFMILBLZKCO-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.14
Rot. Bonds3

About 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide

3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide (PubChem CID 66991749) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide
PubChem CID66991749
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide
SMILESCc1cnc(-c2c(NC(=O)CC(C)(C)C)nc3ccccn23)s1
InChIInChI=1S/C17H20N4OS/c1-11-10-18-16(23-11)14-15(20-13(22)9-17(2,3)4)19-12-7-5-6-8-21(12)14/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeyDJNXFMILBLZKCO-UHFFFAOYSA-N
XLogP4.14
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide (CID 66991749) is 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide is Cc1cnc(-c2c(NC(=O)CC(C)(C)C)nc3ccccn23)s1.
What is the InChIKey of 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide?
The InChIKey is DJNXFMILBLZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-10-18-16(23-11)14-15(20-13(22)9-17(2,3)4)19-12-7-5-6-8-21(12)14/h5-8,10H,9H2,1-4H3,(H,20,22).
What are the key properties of 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide?
3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide has a molecular weight of 328.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide is sourced from PubChem (CID 66991749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).