(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide

C12H10ClN5OS — CID 61000763

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NCc1cn[nH]c1
InChIInChI=1S/C12H10ClN5OS/c13-11-9(18-3-4-20-12(18)17-11)1-2-10(19)14-5-8-6-15-16-7-8/h1-4,6-7H,5H2,(H,14,19)(H,15,16)/b2-1+
InChIKeyQTXGNGYVMVKONI-OWOJBTEDSA-N
MW307.77 g/mol
LogP2.10
Rot. Bonds4

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide (PubChem CID 61000763) has the molecular formula C12H10ClN5OS and a molecular weight of 307.77 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
PubChem CID61000763
Molecular FormulaC12H10ClN5OS
Molecular Weight307.77 g/mol
Exact Mass307.03
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NCc1cn[nH]c1
InChIInChI=1S/C12H10ClN5OS/c13-11-9(18-3-4-20-12(18)17-11)1-2-10(19)14-5-8-6-15-16-7-8/h1-4,6-7H,5H2,(H,14,19)(H,15,16)/b2-1+
InChIKeyQTXGNGYVMVKONI-OWOJBTEDSA-N
XLogP2.10
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32983057
(E)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 55973148
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
3-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113688
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 32979324
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628070
(E)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 94187219
2-[[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoylamino]methyl]butanoic acid
CID 77061185
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103877078
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81340429

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide (CID 61000763) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide is O=C(/C=C/c1c(Cl)nc2sccn12)NCc1cn[nH]c1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
The InChIKey is QTXGNGYVMVKONI-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H10ClN5OS/c13-11-9(18-3-4-20-12(18)17-11)1-2-10(19)14-5-8-6-15-16-7-8/h1-4,6-7H,5H2,(H,14,19)(H,15,16)/b2-1+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide has a molecular weight of 307.77 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 61000763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).