N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

C16H22N4OS — CID 56916225

IUPACN-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(C)N(Cc1ccsc1)C(=O)c1cn2c(n1)CNCC2
InChIInChI=1S/C16H22N4OS/c1-3-12(2)20(9-13-4-7-22-11-13)16(21)14-10-19-6-5-17-8-15(19)18-14/h4,7,10-12,17H,3,5-6,8-9H2,1-2H3
InChIKeyUNDVLHOMXNZFTH-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.49
Rot. Bonds5

About N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56916225) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56916225
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(C)N(Cc1ccsc1)C(=O)c1cn2c(n1)CNCC2
InChIInChI=1S/C16H22N4OS/c1-3-12(2)20(9-13-4-7-22-11-13)16(21)14-10-19-6-5-17-8-15(19)18-14/h4,7,10-12,17H,3,5-6,8-9H2,1-2H3
InChIKeyUNDVLHOMXNZFTH-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 56916225) is N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is CCC(C)N(Cc1ccsc1)C(=O)c1cn2c(n1)CNCC2.
What is the InChIKey of N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UNDVLHOMXNZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-12(2)20(9-13-4-7-22-11-13)16(21)14-10-19-6-5-17-8-15(19)18-14/h4,7,10-12,17H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56916225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).