N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C22H14F3N5OS — CID 74767425

IUPACN-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1nc2ccccc2s1
InChIInChI=1S/C22H14F3N5OS/c1-29(21-28-15-4-2-3-5-18(15)32-21)20(31)16-12-30-17(10-27-19(30)11-26-16)13-6-8-14(9-7-13)22(23,24)25/h2-12H,1H3
InChIKeyUIMHSRIOAYFKTR-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.30
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 74767425) has the molecular formula C22H14F3N5OS and a molecular weight of 453.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID74767425
Molecular FormulaC22H14F3N5OS
Molecular Weight453.45 g/mol
Exact Mass453.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1nc2ccccc2s1
InChIInChI=1S/C22H14F3N5OS/c1-29(21-28-15-4-2-3-5-18(15)32-21)20(31)16-12-30-17(10-27-19(30)11-26-16)13-6-8-14(9-7-13)22(23,24)25/h2-12H,1H3
InChIKeyUIMHSRIOAYFKTR-UHFFFAOYSA-N
XLogP5.30
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
N-methyl-2-[(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 25093452
6-pyridin-2-yl-N-thiophen-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 155551480
8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione
CID 650200
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide
CID 1017396
[6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 44579405
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 132502922
1-(4-Benzoylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]benzothiazol-2-ylethane-1,2-dione
CID 155519442
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]benzothiazol-2-ylethane-1,2-dione
CID 155537665
N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 168298113
1-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]imidazole-4-carboxamide
CID 72187529

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 74767425) is N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is UIMHSRIOAYFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5OS/c1-29(21-28-15-4-2-3-5-18(15)32-21)20(31)16-12-30-17(10-27-19(30)11-26-16)13-6-8-14(9-7-13)22(23,24)25/h2-12H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 74767425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).