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

C17H21IN6S — CID 59503566

IUPACN-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(I)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C17H21IN6S/c1-11-4-3-5-23(8-11)10-13-6-15(25-22-13)21-16-17-19-7-14(18)24(17)9-12(2)20-16/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeyGTZLSLKKYGVWOL-UHFFFAOYSA-N
MW468.37 g/mol
LogP4.07
Rot. Bonds4

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

N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine (PubChem CID 59503566) has the molecular formula C17H21IN6S and a molecular weight of 468.37 g/mol. Its IUPAC name is N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
PubChem CID59503566
Molecular FormulaC17H21IN6S
Molecular Weight468.37 g/mol
Exact Mass468.06
IUPAC NameN-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(I)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C17H21IN6S/c1-11-4-3-5-23(8-11)10-13-6-15(25-22-13)21-16-17-19-7-14(18)24(17)9-12(2)20-16/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeyGTZLSLKKYGVWOL-UHFFFAOYSA-N
XLogP4.07
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 54.07
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-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
The IUPAC name of N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine (CID 59503566) is N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
The canonical SMILES for N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine is Cc1cn2c(I)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.
What is the InChIKey of N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
The InChIKey is GTZLSLKKYGVWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN6S/c1-11-4-3-5-23(8-11)10-13-6-15(25-22-13)21-16-17-19-7-14(18)24(17)9-12(2)20-16/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine has a molecular weight of 468.37 g/mol, XLogP of 4.07, 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-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 59503566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).