N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide

C12H15N5OS — CID 86774778

IUPACN-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCn3ccnc3C2)cs1
InChIInChI=1S/C12H15N5OS/c1-9(18)14-12-15-10(8-19-12)6-16-4-5-17-3-2-13-11(17)7-16/h2-3,8H,4-7H2,1H3,(H,14,15,18)
InChIKeyYEBVAKHEOMRUQH-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.31
Rot. Bonds3

About N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86774778) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID86774778
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCn3ccnc3C2)cs1
InChIInChI=1S/C12H15N5OS/c1-9(18)14-12-15-10(8-19-12)6-16-4-5-17-3-2-13-11(17)7-16/h2-3,8H,4-7H2,1H3,(H,14,15,18)
InChIKeyYEBVAKHEOMRUQH-UHFFFAOYSA-N
XLogP1.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 86774778) is N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCn3ccnc3C2)cs1.
What is the InChIKey of N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YEBVAKHEOMRUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9(18)14-12-15-10(8-19-12)6-16-4-5-17-3-2-13-11(17)7-16/h2-3,8H,4-7H2,1H3,(H,14,15,18).
What are the key properties of N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86774778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).