N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine

C13H15N5S — CID 86790671

IUPACN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cnc3cnccn23)s1
InChIInChI=1S/C13H15N5S/c1-2-3-11-8-17-13(19-11)16-7-10-6-15-12-9-14-4-5-18(10)12/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyIVASKHTWSBLOAH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.75
Rot. Bonds5

About N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine

N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine (PubChem CID 86790671) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
PubChem CID86790671
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cnc3cnccn23)s1
InChIInChI=1S/C13H15N5S/c1-2-3-11-8-17-13(19-11)16-7-10-6-15-12-9-14-4-5-18(10)12/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyIVASKHTWSBLOAH-UHFFFAOYSA-N
XLogP2.75
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine (CID 86790671) is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine is CCCc1cnc(NCc2cnc3cnccn23)s1.
What is the InChIKey of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine?
The InChIKey is IVASKHTWSBLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-2-3-11-8-17-13(19-11)16-7-10-6-15-12-9-14-4-5-18(10)12/h4-6,8-9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine?
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86790671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).