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

C14H18ClN3O2S — CID 103861432

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C14H18ClN3O2S/c1-10(9-19)3-2-6-16-12(20)5-4-11-13(15)17-14-18(11)7-8-21-14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,16,20)/b5-4+
InChIKeyZXYBVPSMFURFKK-SNAWJCMRSA-N
MW327.84 g/mol
LogP2.59
Rot. Bonds7

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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide (PubChem CID 103861432) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
PubChem CID103861432
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C14H18ClN3O2S/c1-10(9-19)3-2-6-16-12(20)5-4-11-13(15)17-14-18(11)7-8-21-14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,16,20)/b5-4+
InChIKeyZXYBVPSMFURFKK-SNAWJCMRSA-N
XLogP2.59
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide (CID 103861432) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide is CC(CO)CCCNC(=O)/C=C/c1c(Cl)nc2sccn12.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
The InChIKey is ZXYBVPSMFURFKK-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-10(9-19)3-2-6-16-12(20)5-4-11-13(15)17-14-18(11)7-8-21-14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,16,20)/b5-4+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide has a molecular weight of 327.84 g/mol, XLogP of 2.59, 7 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-(5-hydroxy-4-methylpentyl)prop-2-enamide is sourced from PubChem (CID 103861432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).