[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

C17H16N8OS — CID 122443833

IUPAC[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESNc1nc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c2ncsc2n1
InChIInChI=1S/C17H16N8OS/c18-17-21-14(13-15(22-17)27-10-19-13)23-5-7-24(8-6-23)16(26)11-9-25-4-2-1-3-12(25)20-11/h1-4,9-10H,5-8H2,(H2,18,21,22)
InChIKeyUYNLAGSWLNURNH-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.28
Rot. Bonds2

About [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 122443833) has the molecular formula C17H16N8OS and a molecular weight of 380.44 g/mol. Its IUPAC name is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID122443833
Molecular FormulaC17H16N8OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESNc1nc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c2ncsc2n1
InChIInChI=1S/C17H16N8OS/c18-17-21-14(13-15(22-17)27-10-19-13)23-5-7-24(8-6-23)16(26)11-9-25-4-2-1-3-12(25)20-11/h1-4,9-10H,5-8H2,(H2,18,21,22)
InChIKeyUYNLAGSWLNURNH-UHFFFAOYSA-N
XLogP1.28
TPSA105.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725785
6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 4879010
1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]prop-2-En-1-One
CID 56940984
(S)-1-(3-((4-(Piperidin-1-ylmethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)prop-2-en-1-one (10)
CID 56942439
N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2467100
1-Pyrrolidin-1-yl-2-[4-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)piperazin-1-yl]ethanone
CID 10737848
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679630
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679792
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71680140
1-[(2S)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71680142
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-methyl-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726154

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 122443833) is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is Nc1nc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c2ncsc2n1.
What is the InChIKey of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is UYNLAGSWLNURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8OS/c18-17-21-14(13-15(22-17)27-10-19-13)23-5-7-24(8-6-23)16(26)11-9-25-4-2-1-3-12(25)20-11/h1-4,9-10H,5-8H2,(H2,18,21,22).
What are the key properties of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 380.44 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 122443833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).