1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H21F3N6O2S — CID 167892278

IUPAC1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)NCCN(C)C(=O)Cc1csc2nc(C)cn12
InChIInChI=1S/C18H21F3N6O2S/c1-4-27-13(8-14(24-27)18(19,20)21)16(29)22-5-6-25(3)15(28)7-12-10-30-17-23-11(2)9-26(12)17/h8-10H,4-7H2,1-3H3,(H,22,29)
InChIKeyQUUWRVFCIISLQH-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.37
Rot. Bonds7

About 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167892278) has the molecular formula C18H21F3N6O2S and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167892278
Molecular FormulaC18H21F3N6O2S
Molecular Weight442.47 g/mol
Exact Mass442.14
IUPAC Name1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)NCCN(C)C(=O)Cc1csc2nc(C)cn12
InChIInChI=1S/C18H21F3N6O2S/c1-4-27-13(8-14(24-27)18(19,20)21)16(29)22-5-6-25(3)15(28)7-12-10-30-17-23-11(2)9-26(12)17/h8-10H,4-7H2,1-3H3,(H,22,29)
InChIKeyQUUWRVFCIISLQH-UHFFFAOYSA-N
XLogP2.37
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167892278) is 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1nc(C(F)(F)F)cc1C(=O)NCCN(C)C(=O)Cc1csc2nc(C)cn12.
What is the InChIKey of 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QUUWRVFCIISLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O2S/c1-4-27-13(8-14(24-27)18(19,20)21)16(29)22-5-6-25(3)15(28)7-12-10-30-17-23-11(2)9-26(12)17/h8-10H,4-7H2,1-3H3,(H,22,29).
What are the key properties of 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167892278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).