N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine

C16H19IN6S — CID 59503552

IUPACN-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(I)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C16H19IN6S/c1-11-9-23-13(17)8-18-16(23)15(19-11)20-14-7-12(21-24-14)10-22-5-3-2-4-6-22/h7-9H,2-6,10H2,1H3,(H,19,20)
InChIKeyRNQQPOSDYUEIJB-UHFFFAOYSA-N
MW454.34 g/mol
LogP3.83
Rot. Bonds4

About N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine

N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 59503552) has the molecular formula C16H19IN6S and a molecular weight of 454.34 g/mol. Its IUPAC name is N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
PubChem CID59503552
Molecular FormulaC16H19IN6S
Molecular Weight454.34 g/mol
Exact Mass454.04
IUPAC NameN-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(I)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C16H19IN6S/c1-11-9-23-13(17)8-18-16(23)15(19-11)20-14-7-12(21-24-14)10-22-5-3-2-4-6-22/h7-9H,2-6,10H2,1H3,(H,19,20)
InChIKeyRNQQPOSDYUEIJB-UHFFFAOYSA-N
XLogP3.83
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (CID 59503552) is N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is Cc1cn2c(I)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is RNQQPOSDYUEIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN6S/c1-11-9-23-13(17)8-18-16(23)15(19-11)20-14-7-12(21-24-14)10-22-5-3-2-4-6-22/h7-9H,2-6,10H2,1H3,(H,19,20).
What are the key properties of N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 454.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 59503552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).