N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide

C13H15N5O2S — CID 91771596

IUPACN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1csc(N2CCOCC2)n1)c1cnccn1
InChIInChI=1S/C13H15N5O2S/c19-12(11-8-14-1-2-15-11)16-7-10-9-21-13(17-10)18-3-5-20-6-4-18/h1-2,8-9H,3-7H2,(H,16,19)
InChIKeyJYXXEAFRELTDAP-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.70
Rot. Bonds4

About N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide

N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 91771596) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID91771596
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1csc(N2CCOCC2)n1)c1cnccn1
InChIInChI=1S/C13H15N5O2S/c19-12(11-8-14-1-2-15-11)16-7-10-9-21-13(17-10)18-3-5-20-6-4-18/h1-2,8-9H,3-7H2,(H,16,19)
InChIKeyJYXXEAFRELTDAP-UHFFFAOYSA-N
XLogP0.70
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (CID 91771596) is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is O=C(NCc1csc(N2CCOCC2)n1)c1cnccn1.
What is the InChIKey of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is JYXXEAFRELTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c19-12(11-8-14-1-2-15-11)16-7-10-9-21-13(17-10)18-3-5-20-6-4-18/h1-2,8-9H,3-7H2,(H,16,19).
What are the key properties of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91771596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).