5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide

C17H16F3N5OS — CID 126704328

IUPAC5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(-c2ccc3nc(NCC4CC4)cn3c2)s1
InChIInChI=1S/C17H16F3N5OS/c18-17(19,20)9-23-15(26)16-22-6-12(27-16)11-3-4-14-24-13(8-25(14)7-11)21-5-10-1-2-10/h3-4,6-8,10,21H,1-2,5,9H2,(H,23,26)
InChIKeyRLAXSPGYKOXBEW-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.57
Rot. Bonds6

About 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide

5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (PubChem CID 126704328) has the molecular formula C17H16F3N5OS and a molecular weight of 395.41 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
PubChem CID126704328
Molecular FormulaC17H16F3N5OS
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Name5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(-c2ccc3nc(NCC4CC4)cn3c2)s1
InChIInChI=1S/C17H16F3N5OS/c18-17(19,20)9-23-15(26)16-22-6-12(27-16)11-3-4-14-24-13(8-25(14)7-11)21-5-10-1-2-10/h3-4,6-8,10,21H,1-2,5,9H2,(H,23,26)
InChIKeyRLAXSPGYKOXBEW-UHFFFAOYSA-N
XLogP3.57
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (CID 126704328) is 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is O=C(NCC(F)(F)F)c1ncc(-c2ccc3nc(NCC4CC4)cn3c2)s1.
What is the InChIKey of 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is RLAXSPGYKOXBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5OS/c18-17(19,20)9-23-15(26)16-22-6-12(27-16)11-3-4-14-24-13(8-25(14)7-11)21-5-10-1-2-10/h3-4,6-8,10,21H,1-2,5,9H2,(H,23,26).
What are the key properties of 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 126704328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).