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

C11H13N5OS — CID 33263811

IUPAC3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1nc(CCNC(=O)c2nccnc2N)cs1
InChIInChI=1S/C11H13N5OS/c1-7-16-8(6-18-7)2-3-15-11(17)9-10(12)14-5-4-13-9/h4-6H,2-3H2,1H3,(H2,12,14)(H,15,17)
InChIKeyBKKXCBNDMUXAMK-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.80
Rot. Bonds4

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

3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 33263811) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID33263811
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1nc(CCNC(=O)c2nccnc2N)cs1
InChIInChI=1S/C11H13N5OS/c1-7-16-8(6-18-7)2-3-15-11(17)9-10(12)14-5-4-13-9/h4-6H,2-3H2,1H3,(H2,12,14)(H,15,17)
InChIKeyBKKXCBNDMUXAMK-UHFFFAOYSA-N
XLogP0.80
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide (CID 33263811) is 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide is Cc1nc(CCNC(=O)c2nccnc2N)cs1.
What is the InChIKey of 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is BKKXCBNDMUXAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-16-8(6-18-7)2-3-15-11(17)9-10(12)14-5-4-13-9/h4-6H,2-3H2,1H3,(H2,12,14)(H,15,17).
What are the key properties of 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 33263811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).