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

C14H19N3OS — CID 24559514

IUPAC(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NCC(C)C)c(C)nc2s1
InChIInChI=1S/C14H19N3OS/c1-9(2)7-15-13(18)6-5-12-11(4)16-14-17(12)8-10(3)19-14/h5-6,8-9H,7H2,1-4H3,(H,15,18)/b6-5+
InChIKeyCRFANSANCIADCT-AATRIKPKSA-N
MW277.39 g/mol
LogP2.80
Rot. Bonds4

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

(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 24559514) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID24559514
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NCC(C)C)c(C)nc2s1
InChIInChI=1S/C14H19N3OS/c1-9(2)7-15-13(18)6-5-12-11(4)16-14-17(12)8-10(3)19-14/h5-6,8-9H,7H2,1-4H3,(H,15,18)/b6-5+
InChIKeyCRFANSANCIADCT-AATRIKPKSA-N
XLogP2.80
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 97433371
(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 75362297
N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
CID 24559446
(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 24559342
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617864
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24613297
(E)-N-[3-(benzimidazol-1-yl)propyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 25358407
(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 24559360
1-(2,4-difluorophenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 76855112
2-[4-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 55471048
(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 129433640
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 43625807

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide (CID 24559514) is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide is Cc1cn2c(/C=C/C(=O)NCC(C)C)c(C)nc2s1.
What is the InChIKey of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is CRFANSANCIADCT-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)7-15-13(18)6-5-12-11(4)16-14-17(12)8-10(3)19-14/h5-6,8-9H,7H2,1-4H3,(H,15,18)/b6-5+.
What are the key properties of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide?
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 277.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 24559514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).