6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C20H16ClN5O2S3 — CID 154835170

IUPAC6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1cccs1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C20H16ClN5O2S3/c1-24(31(27,28)19-18(21)22-20-25(19)9-11-30-20)12-14-13-26(15-6-3-2-4-7-15)23-17(14)16-8-5-10-29-16/h2-11,13H,12H2,1H3
InChIKeyTXEFLLZPDCDZMZ-UHFFFAOYSA-N
MW490.04 g/mol
LogP4.78
Rot. Bonds6

About 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 154835170) has the molecular formula C20H16ClN5O2S3 and a molecular weight of 490.04 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID154835170
Molecular FormulaC20H16ClN5O2S3
Molecular Weight490.04 g/mol
Exact Mass489.02
IUPAC Name6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1cccs1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C20H16ClN5O2S3/c1-24(31(27,28)19-18(21)22-20-25(19)9-11-30-20)12-14-13-26(15-6-3-2-4-7-15)23-17(14)16-8-5-10-29-16/h2-11,13H,12H2,1H3
InChIKeyTXEFLLZPDCDZMZ-UHFFFAOYSA-N
XLogP4.78
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.04
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 154835170) is 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is TXEFLLZPDCDZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2S3/c1-24(31(27,28)19-18(21)22-20-25(19)9-11-30-20)12-14-13-26(15-6-3-2-4-7-15)23-17(14)16-8-5-10-29-16/h2-11,13H,12H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 490.04 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 154835170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).