2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C11H14N4O2S2 — CID 66379538

IUPAC2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1nsc(NCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H14N4O2S2/c1-11(2,3)9-14-10(19-15-9)12-4-7-13-6(5-18-7)8(16)17/h5H,4H2,1-3H3,(H,16,17)(H,12,14,15)
InChIKeyVCDBKSLAZSOZNM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds4

About 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379538) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379538
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1nsc(NCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H14N4O2S2/c1-11(2,3)9-14-10(19-15-9)12-4-7-13-6(5-18-7)8(16)17/h5H,4H2,1-3H3,(H,16,17)(H,12,14,15)
InChIKeyVCDBKSLAZSOZNM-UHFFFAOYSA-N
XLogP2.60
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
2-[[(5-methylpyrimidin-2-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378949
2-[(3-methylpentan-3-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 106330610
2-[[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245261
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
N-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65274045
2-[[[2-(ethylamino)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378761
2-[[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 79376567
2-[(hexylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378622
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 136526242
2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381434

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66379538) is 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)c1nsc(NCc2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VCDBKSLAZSOZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-11(2,3)9-14-10(19-15-9)12-4-7-13-6(5-18-7)8(16)17/h5H,4H2,1-3H3,(H,16,17)(H,12,14,15).
What are the key properties of 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).