(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide

C14H10ClN3OS2 — CID 170876618

IUPAC(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C14H10ClN3OS2/c15-9-1-3-10(4-2-9)21-13-11(5-6-12(16)19)18-7-8-20-14(18)17-13/h1-8H,(H2,16,19)/b6-5+
InChIKeyVFLPKQQITGFNRD-AATRIKPKSA-N
MW335.84 g/mol
LogP3.70
Rot. Bonds4

About (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide

(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide (PubChem CID 170876618) has the molecular formula C14H10ClN3OS2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
PubChem CID170876618
Molecular FormulaC14H10ClN3OS2
Molecular Weight335.84 g/mol
Exact Mass335.00
IUPAC Name(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C14H10ClN3OS2/c15-9-1-3-10(4-2-9)21-13-11(5-6-12(16)19)18-7-8-20-14(18)17-13/h1-8H,(H2,16,19)/b6-5+
InChIKeyVFLPKQQITGFNRD-AATRIKPKSA-N
XLogP3.70
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide (CID 170876618) is (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide is NC(=O)/C=C/c1c(Sc2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The InChIKey is VFLPKQQITGFNRD-AATRIKPKSA-N. The full InChI is InChI=1S/C14H10ClN3OS2/c15-9-1-3-10(4-2-9)21-13-11(5-6-12(16)19)18-7-8-20-14(18)17-13/h1-8H,(H2,16,19)/b6-5+.
What are the key properties of (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide has a molecular weight of 335.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 170876618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).