(E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

C12H14ClN3OS — CID 2110486

IUPAC(E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C12H14ClN3OS/c1-12(2,3)15-9(17)5-4-8-10(13)14-11-16(8)6-7-18-11/h4-7H,1-3H3,(H,15,17)/b5-4+
InChIKeyNVFXOWMIUOFVIH-SNAWJCMRSA-N
MW283.78 g/mol
LogP2.98
Rot. Bonds2

About (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

(E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (PubChem CID 2110486) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
PubChem CID2110486
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name(E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C12H14ClN3OS/c1-12(2,3)15-9(17)5-4-8-10(13)14-11-16(8)6-7-18-11/h4-7H,1-3H3,(H,15,17)/b5-4+
InChIKeyNVFXOWMIUOFVIH-SNAWJCMRSA-N
XLogP2.98
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.98
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-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (CID 2110486) is (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is CC(C)(C)NC(=O)/C=C/c1c(Cl)nc2sccn12.
What is the InChIKey of (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The InChIKey is NVFXOWMIUOFVIH-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-12(2,3)15-9(17)5-4-8-10(13)14-11-16(8)6-7-18-11/h4-7H,1-3H3,(H,15,17)/b5-4+.
What are the key properties of (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
(E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide has a molecular weight of 283.78 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 2110486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).