4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C17H20FN7OS — CID 156888612

IUPAC4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(N4CCN(C)CC4)nc3N)cc(F)c2n1
InChIInChI=1S/C17H20FN7OS/c1-10-8-25-9-11(7-12(18)15(25)20-10)21-16(26)13-14(19)22-17(27-13)24-5-3-23(2)4-6-24/h7-9H,3-6,19H2,1-2H3,(H,21,26)
InChIKeyLBACQRGKWZXFTF-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.82
Rot. Bonds3

About 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 156888612) has the molecular formula C17H20FN7OS and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID156888612
Molecular FormulaC17H20FN7OS
Molecular Weight389.46 g/mol
Exact Mass389.14
IUPAC Name4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(N4CCN(C)CC4)nc3N)cc(F)c2n1
InChIInChI=1S/C17H20FN7OS/c1-10-8-25-9-11(7-12(18)15(25)20-10)21-16(26)13-14(19)22-17(27-13)24-5-3-23(2)4-6-24/h7-9H,3-6,19H2,1-2H3,(H,21,26)
InChIKeyLBACQRGKWZXFTF-UHFFFAOYSA-N
XLogP1.82
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 156888612) is 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is Cc1cn2cc(NC(=O)c3sc(N4CCN(C)CC4)nc3N)cc(F)c2n1.
What is the InChIKey of 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LBACQRGKWZXFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7OS/c1-10-8-25-9-11(7-12(18)15(25)20-10)21-16(26)13-14(19)22-17(27-13)24-5-3-23(2)4-6-24/h7-9H,3-6,19H2,1-2H3,(H,21,26).
What are the key properties of 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156888612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).