5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid

C12H15N5O2S — CID 122054324

IUPAC5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1nnc(CNc2cnc(C(=O)O)cn2)s1
InChIInChI=1S/C12H15N5O2S/c1-12(2,3)11-17-16-9(20-11)6-15-8-5-13-7(4-14-8)10(18)19/h4-5H,6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyBNXFLBYDPBSTDZ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.94
Rot. Bonds4

About 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid

5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054324) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID122054324
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1nnc(CNc2cnc(C(=O)O)cn2)s1
InChIInChI=1S/C12H15N5O2S/c1-12(2,3)11-17-16-9(20-11)6-15-8-5-13-7(4-14-8)10(18)19/h4-5H,6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyBNXFLBYDPBSTDZ-UHFFFAOYSA-N
XLogP1.94
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 167982197
5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 167786219
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 166258137
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
CID 119344847
5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
CID 107372559
5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
CID 122054676
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 83631570
5-[(2,2-diethyl-4-hydroxybutyl)amino]pyrazine-2-carboxylic acid
CID 122054100
5-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053923

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid (CID 122054324) is 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid is CC(C)(C)c1nnc(CNc2cnc(C(=O)O)cn2)s1.
What is the InChIKey of 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is BNXFLBYDPBSTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-12(2,3)11-17-16-9(20-11)6-15-8-5-13-7(4-14-8)10(18)19/h4-5H,6H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).