3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride

C14H11ClF3N3OS — CID 21152450

IUPAC3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nccn12.Cl
InChIInChI=1S/C14H10F3N3OS.ClH/c1-8-11(22-13-18-5-6-20(8)13)12(21)19-10-4-2-3-9(7-10)14(15,16)17;/h2-7H,1H3,(H,19,21);1H
InChIKeyFDTBPFOUQAYQSO-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.40
Rot. Bonds2

About 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride

3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride (PubChem CID 21152450) has the molecular formula C14H11ClF3N3OS and a molecular weight of 361.78 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
PubChem CID21152450
Molecular FormulaC14H11ClF3N3OS
Molecular Weight361.78 g/mol
Exact Mass361.03
IUPAC Name3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nccn12.Cl
InChIInChI=1S/C14H10F3N3OS.ClH/c1-8-11(22-13-18-5-6-20(8)13)12(21)19-10-4-2-3-9(7-10)14(15,16)17;/h2-7H,1H3,(H,19,21);1H
InChIKeyFDTBPFOUQAYQSO-UHFFFAOYSA-N
XLogP4.40
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 1129095
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
2,3-dimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248405
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867
5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 4764229
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153514

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride (CID 21152450) is 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nccn12.Cl.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride?
The InChIKey is FDTBPFOUQAYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS.ClH/c1-8-11(22-13-18-5-6-20(8)13)12(21)19-10-4-2-3-9(7-10)14(15,16)17;/h2-7H,1H3,(H,19,21);1H.
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride?
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride has a molecular weight of 361.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 21152450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).