4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide

C16H19F3N4OS — CID 128973018

IUPAC4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H19F3N4OS/c1-3-11-14(25-9-20-11)15(24)22(2)6-10-4-5-13-21-12(16(17,18)19)8-23(13)7-10/h8-10H,3-7H2,1-2H3
InChIKeyYJGKPZBNXZGXFE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.26
Rot. Bonds4

About 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide

4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 128973018) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID128973018
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H19F3N4OS/c1-3-11-14(25-9-20-11)15(24)22(2)6-10-4-5-13-21-12(16(17,18)19)8-23(13)7-10/h8-10H,3-7H2,1-2H3
InChIKeyYJGKPZBNXZGXFE-UHFFFAOYSA-N
XLogP3.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide (CID 128973018) is 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide is CCc1ncsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YJGKPZBNXZGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-3-11-14(25-9-20-11)15(24)22(2)6-10-4-5-13-21-12(16(17,18)19)8-23(13)7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 128973018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).