N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H22N6OS — CID 142415464

IUPACN-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3cncc4nccn34)C2)s1
InChIInChI=1S/C18H22N6OS/c1-13(25)22-18-21-9-16(26-18)12-23-5-2-3-14(11-23)7-15-8-19-10-17-20-4-6-24(15)17/h4,6,8-10,14H,2-3,5,7,11-12H2,1H3,(H,21,22,25)
InChIKeyKHVSICPLYCITHD-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.60
Rot. Bonds5

About N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415464) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415464
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3cncc4nccn34)C2)s1
InChIInChI=1S/C18H22N6OS/c1-13(25)22-18-21-9-16(26-18)12-23-5-2-3-14(11-23)7-15-8-19-10-17-20-4-6-24(15)17/h4,6,8-10,14H,2-3,5,7,11-12H2,1H3,(H,21,22,25)
InChIKeyKHVSICPLYCITHD-UHFFFAOYSA-N
XLogP2.60
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415464) is N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cc3cncc4nccn34)C2)s1.
What is the InChIKey of N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KHVSICPLYCITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-13(25)22-18-21-9-16(26-18)12-23-5-2-3-14(11-23)7-15-8-19-10-17-20-4-6-24(15)17/h4,6,8-10,14H,2-3,5,7,11-12H2,1H3,(H,21,22,25).
What are the key properties of N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).