3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide

C19H16ClN3OS2 — CID 27377165

IUPAC3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1cccs1
InChIInChI=1S/C19H16ClN3OS2/c20-14-5-3-13(4-6-14)17-11-23-15(12-26-19(23)22-17)7-8-18(24)21-10-16-2-1-9-25-16/h1-6,9,11-12H,7-8,10H2,(H,21,24)
InChIKeyWERWZKLUKOYBIQ-UHFFFAOYSA-N
MW401.94 g/mol
LogP5.03
Rot. Bonds6

About 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 27377165) has the molecular formula C19H16ClN3OS2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID27377165
Molecular FormulaC19H16ClN3OS2
Molecular Weight401.94 g/mol
Exact Mass401.04
IUPAC Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1cccs1
InChIInChI=1S/C19H16ClN3OS2/c20-14-5-3-13(4-6-14)17-11-23-15(12-26-19(23)22-17)7-8-18(24)21-10-16-2-1-9-25-16/h1-6,9,11-12H,7-8,10H2,(H,21,24)
InChIKeyWERWZKLUKOYBIQ-UHFFFAOYSA-N
XLogP5.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 27377165) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1cccs1.
What is the InChIKey of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is WERWZKLUKOYBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS2/c20-14-5-3-13(4-6-14)17-11-23-15(12-26-19(23)22-17)7-8-18(24)21-10-16-2-1-9-25-16/h1-6,9,11-12H,7-8,10H2,(H,21,24).
What are the key properties of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 401.94 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 27377165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).