lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate

C12H13LiN4O2S — CID 177322695

IUPAClithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate
SMILESCC(C)c1nc(C(=O)[O-])cnc1NCc1nccs1.[Li+]
InChIInChI=1S/C12H14N4O2S.Li/c1-7(2)10-11(14-5-8(16-10)12(17)18)15-6-9-13-3-4-19-9;/h3-5,7H,6H2,1-2H3,(H,14,15)(H,17,18);/q;+1/p-1
InChIKeyCHKIIWSJHLYJMA-UHFFFAOYSA-M
MW284.27 g/mol
LogP-1.96
Rot. Bonds5

About lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate

lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate (PubChem CID 177322695) has the molecular formula C12H13LiN4O2S and a molecular weight of 284.27 g/mol. Its IUPAC name is lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namelithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate
PubChem CID177322695
Molecular FormulaC12H13LiN4O2S
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Namelithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate
SMILESCC(C)c1nc(C(=O)[O-])cnc1NCc1nccs1.[Li+]
InChIInChI=1S/C12H14N4O2S.Li/c1-7(2)10-11(14-5-8(16-10)12(17)18)15-6-9-13-3-4-19-9;/h3-5,7H,6H2,1-2H3,(H,14,15)(H,17,18);/q;+1/p-1
InChIKeyCHKIIWSJHLYJMA-UHFFFAOYSA-M
XLogP-1.96
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62709979
1-(1,3-thiazol-2-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766776
2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
CID 154628232
6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 66451239
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808040
methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide
CID 70942572
5-(ethylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175298
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560

Frequently Asked Questions

What is the IUPAC name of lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate?
The IUPAC name of lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate (CID 177322695) is lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate?
The canonical SMILES for lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate is CC(C)c1nc(C(=O)[O-])cnc1NCc1nccs1.[Li+].
What is the InChIKey of lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate?
The InChIKey is CHKIIWSJHLYJMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N4O2S.Li/c1-7(2)10-11(14-5-8(16-10)12(17)18)15-6-9-13-3-4-19-9;/h3-5,7H,6H2,1-2H3,(H,14,15)(H,17,18);/q;+1/p-1.
What are the key properties of lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate?
lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of -1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 177322695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).