6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C37H40N8O4S — CID 129021131

IUPAC6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccc4c(c3)sc3nc(C(=O)NCCN5CCOCC5)cn34)cc2)cc1
InChIInChI=1S/C37H40N8O4S/c1-24-5-9-26(10-6-24)45-33(22-32(42-45)37(2,3)4)41-35(47)39-25-7-11-27(12-8-25)49-28-13-14-30-31(21-28)50-36-40-29(23-44(30)36)34(46)38-15-16-43-17-19-48-20-18-43/h5-14,21-23H,15-20H2,1-4H3,(H,38,46)(H2,39,41,47)
InChIKeyUNOZKNHQHPXQFH-UHFFFAOYSA-N
MW692.85 g/mol
LogP6.84
Rot. Bonds9

About 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 129021131) has the molecular formula C37H40N8O4S and a molecular weight of 692.85 g/mol. Its IUPAC name is 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID129021131
Molecular FormulaC37H40N8O4S
Molecular Weight692.85 g/mol
Exact Mass692.29
IUPAC Name6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccc4c(c3)sc3nc(C(=O)NCCN5CCOCC5)cn34)cc2)cc1
InChIInChI=1S/C37H40N8O4S/c1-24-5-9-26(10-6-24)45-33(22-32(42-45)37(2,3)4)41-35(47)39-25-7-11-27(12-8-25)49-28-13-14-30-31(21-28)50-36-40-29(23-44(30)36)34(46)38-15-16-43-17-19-48-20-18-43/h5-14,21-23H,15-20H2,1-4H3,(H,38,46)(H2,39,41,47)
InChIKeyUNOZKNHQHPXQFH-UHFFFAOYSA-N
XLogP6.84
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.85
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-hydroxy-1-phenylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118395666
1-[3-tert-butyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706834
1-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[4-[6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 11505249
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;hydrochloride
CID 25235536
1-[3-tert-butyl-1-[4-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;ethane
CID 143176923
1-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 52934598
1-[3-tert-butyl-1-[4-(2-methoxyethylamino)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706019
2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine
CID 157487524
CID 142977965
CID 142977965
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(4-morpholin-4-ylbutylcarbamoylamino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46235696
4-[4-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 58385407
1-[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 141209874

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 129021131) is 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccc4c(c3)sc3nc(C(=O)NCCN5CCOCC5)cn34)cc2)cc1.
What is the InChIKey of 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is UNOZKNHQHPXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N8O4S/c1-24-5-9-26(10-6-24)45-33(22-32(42-45)37(2,3)4)41-35(47)39-25-7-11-27(12-8-25)49-28-13-14-30-31(21-28)50-36-40-29(23-44(30)36)34(46)38-15-16-43-17-19-48-20-18-43/h5-14,21-23H,15-20H2,1-4H3,(H,38,46)(H2,39,41,47).
What are the key properties of 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 692.85 g/mol, XLogP of 6.84, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 129021131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).