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

C18H22N6S — CID 59503673

IUPACN-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESc1cn2c(C3CC3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C18H22N6S/c1-2-7-23(8-3-1)12-14-10-16(25-22-14)21-17-18-20-11-15(13-4-5-13)24(18)9-6-19-17/h6,9-11,13H,1-5,7-8,12H2,(H,19,21)
InChIKeyBSFDOYQVJQSYGH-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.79
Rot. Bonds5

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

N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 59503673) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
PubChem CID59503673
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC NameN-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESc1cn2c(C3CC3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C18H22N6S/c1-2-7-23(8-3-1)12-14-10-16(25-22-14)21-17-18-20-11-15(13-4-5-13)24(18)9-6-19-17/h6,9-11,13H,1-5,7-8,12H2,(H,19,21)
InChIKeyBSFDOYQVJQSYGH-UHFFFAOYSA-N
XLogP3.79
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (CID 59503673) is N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is c1cn2c(C3CC3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is BSFDOYQVJQSYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-2-7-23(8-3-1)12-14-10-16(25-22-14)21-17-18-20-11-15(13-4-5-13)24(18)9-6-19-17/h6,9-11,13H,1-5,7-8,12H2,(H,19,21).
What are the key properties of N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 354.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 59503673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).