N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C13H17N3O2S — CID 63294838

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)NCC(O)C3CC3)csc2n1
InChIInChI=1S/C13H17N3O2S/c1-8-6-16-10(7-19-13(16)15-8)4-12(18)14-5-11(17)9-2-3-9/h6-7,9,11,17H,2-5H2,1H3,(H,14,18)
InChIKeyXBQDMXBMPGPGEX-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.13
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 63294838) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID63294838
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)NCC(O)C3CC3)csc2n1
InChIInChI=1S/C13H17N3O2S/c1-8-6-16-10(7-19-13(16)15-8)4-12(18)14-5-11(17)9-2-3-9/h6-7,9,11,17H,2-5H2,1H3,(H,14,18)
InChIKeyXBQDMXBMPGPGEX-UHFFFAOYSA-N
XLogP1.13
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 63294838) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is Cc1cn2c(CC(=O)NCC(O)C3CC3)csc2n1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is XBQDMXBMPGPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-6-16-10(7-19-13(16)15-8)4-12(18)14-5-11(17)9-2-3-9/h6-7,9,11,17H,2-5H2,1H3,(H,14,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 63294838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).