3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid

C10H10N4O2S — CID 55107887

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1ncc(CNc2nccnc2C(=O)O)s1
InChIInChI=1S/C10H10N4O2S/c1-6-13-4-7(17-6)5-14-9-8(10(15)16)11-2-3-12-9/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyOLPCXURALSAOPE-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.55
Rot. Bonds4

About 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid

3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 55107887) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID55107887
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1ncc(CNc2nccnc2C(=O)O)s1
InChIInChI=1S/C10H10N4O2S/c1-6-13-4-7(17-6)5-14-9-8(10(15)16)11-2-3-12-9/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyOLPCXURALSAOPE-UHFFFAOYSA-N
XLogP1.55
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 66450849
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730975
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide
CID 80511243
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461
2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione
CID 61281036

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid (CID 55107887) is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid is Cc1ncc(CNc2nccnc2C(=O)O)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is OLPCXURALSAOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-13-4-7(17-6)5-14-9-8(10(15)16)11-2-3-12-9/h2-4H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 55107887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).