N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

C16H21N5OS — CID 97467571

IUPACN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn2c(n1)CN(Cc1nccs1)CC2)C1CCC1
InChIInChI=1S/C16H21N5OS/c22-16(12-2-1-3-12)18-8-13-9-21-6-5-20(10-14(21)19-13)11-15-17-4-7-23-15/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,18,22)
InChIKeyBYOWYNHFVGSPQO-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.77
Rot. Bonds5

About N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 97467571) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID97467571
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn2c(n1)CN(Cc1nccs1)CC2)C1CCC1
InChIInChI=1S/C16H21N5OS/c22-16(12-2-1-3-12)18-8-13-9-21-6-5-20(10-14(21)19-13)11-15-17-4-7-23-15/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,18,22)
InChIKeyBYOWYNHFVGSPQO-UHFFFAOYSA-N
XLogP1.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 97467571) is N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is O=C(NCc1cn2c(n1)CN(Cc1nccs1)CC2)C1CCC1.
What is the InChIKey of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is BYOWYNHFVGSPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-16(12-2-1-3-12)18-8-13-9-21-6-5-20(10-14(21)19-13)11-15-17-4-7-23-15/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,18,22).
What are the key properties of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 331.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 97467571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).