N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

C16H17N7OS — CID 56885407

IUPACN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)c1cn2c(n1)CNCC2
InChIInChI=1S/C16H17N7OS/c24-15(12-9-23-7-6-17-8-13(23)22-12)20-5-2-11-10-25-16(21-11)14-18-3-1-4-19-14/h1,3-4,9-10,17H,2,5-8H2,(H,20,24)
InChIKeyKEOSHAVDVTVNHH-UHFFFAOYSA-N
MW355.43 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56885407) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56885407
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC NameN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)c1cn2c(n1)CNCC2
InChIInChI=1S/C16H17N7OS/c24-15(12-9-23-7-6-17-8-13(23)22-12)20-5-2-11-10-25-16(21-11)14-18-3-1-4-19-14/h1,3-4,9-10,17H,2,5-8H2,(H,20,24)
InChIKeyKEOSHAVDVTVNHH-UHFFFAOYSA-N
XLogP0.87
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 56885407) is N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is O=C(NCCc1csc(-c2ncccn2)n1)c1cn2c(n1)CNCC2.
What is the InChIKey of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is KEOSHAVDVTVNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c24-15(12-9-23-7-6-17-8-13(23)22-12)20-5-2-11-10-25-16(21-11)14-18-3-1-4-19-14/h1,3-4,9-10,17H,2,5-8H2,(H,20,24).
What are the key properties of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56885407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).