2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C18H23N3OS — CID 143651780

IUPAC2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCC1(C(C)(C)C(=O)Nc2nc(-c3cccnc3)cs2)CCC1
InChIInChI=1S/C18H23N3OS/c1-4-18(8-6-9-18)17(2,3)15(22)21-16-20-14(12-23-16)13-7-5-10-19-11-13/h5,7,10-12H,4,6,8-9H2,1-3H3,(H,20,21,22)
InChIKeyCFRDRFPHNWNIFG-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.75
Rot. Bonds5

About 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 143651780) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID143651780
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCC1(C(C)(C)C(=O)Nc2nc(-c3cccnc3)cs2)CCC1
InChIInChI=1S/C18H23N3OS/c1-4-18(8-6-9-18)17(2,3)15(22)21-16-20-14(12-23-16)13-7-5-10-19-11-13/h5,7,10-12H,4,6,8-9H2,1-3H3,(H,20,21,22)
InChIKeyCFRDRFPHNWNIFG-UHFFFAOYSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 143651780) is 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is CCC1(C(C)(C)C(=O)Nc2nc(-c3cccnc3)cs2)CCC1.
What is the InChIKey of 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CFRDRFPHNWNIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-4-18(8-6-9-18)17(2,3)15(22)21-16-20-14(12-23-16)13-7-5-10-19-11-13/h5,7,10-12H,4,6,8-9H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 329.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 143651780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).