3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide

C19H20F3N5OS — CID 164558406

IUPAC3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C19H20F3N5OS/c1-11-14(10-29-26-11)18(28)24-13-7-5-12(6-8-13)23-16-3-2-4-17-25-15(9-27(16)17)19(20,21)22/h2-4,9-10,12-13,23H,5-8H2,1H3,(H,24,28)
InChIKeyLXNXHOPPVXJGRK-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.27
Rot. Bonds4

About 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide

3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide (PubChem CID 164558406) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
PubChem CID164558406
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC Name3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C19H20F3N5OS/c1-11-14(10-29-26-11)18(28)24-13-7-5-12(6-8-13)23-16-3-2-4-17-25-15(9-27(16)17)19(20,21)22/h2-4,9-10,12-13,23H,5-8H2,1H3,(H,24,28)
InChIKeyLXNXHOPPVXJGRK-UHFFFAOYSA-N
XLogP4.27
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide (CID 164558406) is 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.
What is the InChIKey of 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide?
The InChIKey is LXNXHOPPVXJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-11-14(10-29-26-11)18(28)24-13-7-5-12(6-8-13)23-16-3-2-4-17-25-15(9-27(16)17)19(20,21)22/h2-4,9-10,12-13,23H,5-8H2,1H3,(H,24,28).
What are the key properties of 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 164558406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).