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

C12H17N5S — CID 63024819

IUPAC1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCn3ccnc3C2)cs1
InChIInChI=1S/C12H17N5S/c1-13-6-12-15-10(9-18-12)7-16-4-5-17-3-2-14-11(17)8-16/h2-3,9,13H,4-8H2,1H3
InChIKeyAKDGJIKGUZFJFO-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.07
Rot. Bonds4

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

1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 63024819) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID63024819
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCn3ccnc3C2)cs1
InChIInChI=1S/C12H17N5S/c1-13-6-12-15-10(9-18-12)7-16-4-5-17-3-2-14-11(17)8-16/h2-3,9,13H,4-8H2,1H3
InChIKeyAKDGJIKGUZFJFO-UHFFFAOYSA-N
XLogP1.07
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 63024819) is 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(CN2CCn3ccnc3C2)cs1.
What is the InChIKey of 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is AKDGJIKGUZFJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-13-6-12-15-10(9-18-12)7-16-4-5-17-3-2-14-11(17)8-16/h2-3,9,13H,4-8H2,1H3.
What are the key properties of 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 263.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63024819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).