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

C9H9N5OS — CID 118715039

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESNCc1csc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C9H9N5OS/c10-3-6-5-16-9(13-6)14-8(15)7-4-11-1-2-12-7/h1-2,4-5H,3,10H2,(H,13,14,15)
InChIKeyDAFMWFDHUXZMHU-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.64
Rot. Bonds3

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

N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 118715039) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID118715039
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESNCc1csc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C9H9N5OS/c10-3-6-5-16-9(13-6)14-8(15)7-4-11-1-2-12-7/h1-2,4-5H,3,10H2,(H,13,14,15)
InChIKeyDAFMWFDHUXZMHU-UHFFFAOYSA-N
XLogP0.64
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 118715039) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is NCc1csc(NC(=O)c2cnccn2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is DAFMWFDHUXZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c10-3-6-5-16-9(13-6)14-8(15)7-4-11-1-2-12-7/h1-2,4-5H,3,10H2,(H,13,14,15).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118715039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).