(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

C17H21N3OS — CID 75362297

IUPAC(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NC(C3CC3)C3CC3)c(C)nc2s1
InChIInChI=1S/C17H21N3OS/c1-10-9-20-14(11(2)18-17(20)22-10)7-8-15(21)19-16(12-3-4-12)13-5-6-13/h7-9,12-13,16H,3-6H2,1-2H3,(H,19,21)/b8-7+
InChIKeyDLFOICQETLJEPT-BQYQJAHWSA-N
MW315.44 g/mol
LogP3.33
Rot. Bonds5

About (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (PubChem CID 75362297) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
PubChem CID75362297
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NC(C3CC3)C3CC3)c(C)nc2s1
InChIInChI=1S/C17H21N3OS/c1-10-9-20-14(11(2)18-17(20)22-10)7-8-15(21)19-16(12-3-4-12)13-5-6-13/h7-9,12-13,16H,3-6H2,1-2H3,(H,19,21)/b8-7+
InChIKeyDLFOICQETLJEPT-BQYQJAHWSA-N
XLogP3.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (CID 75362297) is (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is Cc1cn2c(/C=C/C(=O)NC(C3CC3)C3CC3)c(C)nc2s1.
What is the InChIKey of (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The InChIKey is DLFOICQETLJEPT-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-10-9-20-14(11(2)18-17(20)22-10)7-8-15(21)19-16(12-3-4-12)13-5-6-13/h7-9,12-13,16H,3-6H2,1-2H3,(H,19,21)/b8-7+.
What are the key properties of (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide has a molecular weight of 315.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 75362297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).