N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide

C34H44ClN3OS — CID 42793104

IUPACN-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccccc1
InChIInChI=1S/C34H44ClN3OS/c1-2-3-4-5-6-7-8-9-10-11-15-18-33(39)37(25-28-16-13-12-14-17-28)24-23-31-27-40-34-36-32(26-38(31)34)29-19-21-30(35)22-20-29/h12-14,16-17,19-22,26-27H,2-11,15,18,23-25H2,1H3
InChIKeyTVPKGIVXRVOZSI-UHFFFAOYSA-N
MW578.27 g/mol
LogP9.99
Rot. Bonds18

About N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide

N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide (PubChem CID 42793104) has the molecular formula C34H44ClN3OS and a molecular weight of 578.27 g/mol. Its IUPAC name is N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
PubChem CID42793104
Molecular FormulaC34H44ClN3OS
Molecular Weight578.27 g/mol
Exact Mass577.29
IUPAC NameN-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccccc1
InChIInChI=1S/C34H44ClN3OS/c1-2-3-4-5-6-7-8-9-10-11-15-18-33(39)37(25-28-16-13-12-14-17-28)24-23-31-27-40-34-36-32(26-38(31)34)29-19-21-30(35)22-20-29/h12-14,16-17,19-22,26-27H,2-11,15,18,23-25H2,1H3
InChIKeyTVPKGIVXRVOZSI-UHFFFAOYSA-N
XLogP9.99
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.27
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide?
The IUPAC name of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide (CID 42793104) is N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide.
What is the SMILES notation for N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide?
The canonical SMILES for N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide?
The InChIKey is TVPKGIVXRVOZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44ClN3OS/c1-2-3-4-5-6-7-8-9-10-11-15-18-33(39)37(25-28-16-13-12-14-17-28)24-23-31-27-40-34-36-32(26-38(31)34)29-19-21-30(35)22-20-29/h12-14,16-17,19-22,26-27H,2-11,15,18,23-25H2,1H3.
What are the key properties of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide?
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide has a molecular weight of 578.27 g/mol, XLogP of 9.99, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide is sourced from PubChem (CID 42793104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).