2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C8H8N4OS2 — CID 948473

IUPAC2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS2/c1-4-5(15-7(9)11-4)6(13)12-8-10-2-3-14-8/h2-3H,1H3,(H2,9,11)(H,10,12,13)
InChIKeyVQHXZEJPRNVKDX-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.74
Rot. Bonds2

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

2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 948473) has the molecular formula C8H8N4OS2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID948473
Molecular FormulaC8H8N4OS2
Molecular Weight240.31 g/mol
Exact Mass240.01
IUPAC Name2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS2/c1-4-5(15-7(9)11-4)6(13)12-8-10-2-3-14-8/h2-3H,1H3,(H2,9,11)(H,10,12,13)
InChIKeyVQHXZEJPRNVKDX-UHFFFAOYSA-N
XLogP1.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 948473) is 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1nccs1.
What is the InChIKey of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VQHXZEJPRNVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS2/c1-4-5(15-7(9)11-4)6(13)12-8-10-2-3-14-8/h2-3H,1H3,(H2,9,11)(H,10,12,13).
What are the key properties of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 948473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).