5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C8H9N5OS2 — CID 80616024

IUPAC5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2nnc(N)s2)s1
InChIInChI=1S/C8H9N5OS2/c1-4-10-2-5(15-4)3-11-6(14)7-12-13-8(9)16-7/h2H,3H2,1H3,(H2,9,13)(H,11,14)
InChIKeyWDMWKLIJBXSCCG-UHFFFAOYSA-N
MW255.33 g/mol
LogP0.82
Rot. Bonds3

About 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616024) has the molecular formula C8H9N5OS2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616024
Molecular FormulaC8H9N5OS2
Molecular Weight255.33 g/mol
Exact Mass255.02
IUPAC Name5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2nnc(N)s2)s1
InChIInChI=1S/C8H9N5OS2/c1-4-10-2-5(15-4)3-11-6(14)7-12-13-8(9)16-7/h2H,3H2,1H3,(H2,9,13)(H,11,14)
InChIKeyWDMWKLIJBXSCCG-UHFFFAOYSA-N
XLogP0.82
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80616024) is 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ncc(CNC(=O)c2nnc(N)s2)s1.
What is the InChIKey of 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WDMWKLIJBXSCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS2/c1-4-10-2-5(15-4)3-11-6(14)7-12-13-8(9)16-7/h2H,3H2,1H3,(H2,9,13)(H,11,14).
What are the key properties of 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 255.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).