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

C11H13N5OS — CID 119125701

IUPAC3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCCc1nc(CNC(=O)c2nccnc2N)cs1
InChIInChI=1S/C11H13N5OS/c1-2-8-16-7(6-18-8)5-15-11(17)9-10(12)14-4-3-13-9/h3-4,6H,2,5H2,1H3,(H2,12,14)(H,15,17)
InChIKeyUCQVUKDNADTSAE-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.01
Rot. Bonds4

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

3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 119125701) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID119125701
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCCc1nc(CNC(=O)c2nccnc2N)cs1
InChIInChI=1S/C11H13N5OS/c1-2-8-16-7(6-18-8)5-15-11(17)9-10(12)14-4-3-13-9/h3-4,6H,2,5H2,1H3,(H2,12,14)(H,15,17)
InChIKeyUCQVUKDNADTSAE-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 25480153
6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 119999255
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
CID 119125481
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 131926202
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
CID 119882244
3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115592141
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (CID 119125701) is 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is CCc1nc(CNC(=O)c2nccnc2N)cs1.
What is the InChIKey of 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is UCQVUKDNADTSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-2-8-16-7(6-18-8)5-15-11(17)9-10(12)14-4-3-13-9/h3-4,6H,2,5H2,1H3,(H2,12,14)(H,15,17).
What are the key properties of 3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 1.01, 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-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119125701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).