N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide

C7H5BrN4OS2 — CID 54860719

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H5BrN4OS2/c1-3-5(15-12-11-3)6(13)10-7-9-2-4(8)14-7/h2H,1H3,(H,9,10,13)
InChIKeyXKBIHEAAEJPIBX-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.32
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 54860719) has the molecular formula C7H5BrN4OS2 and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID54860719
Molecular FormulaC7H5BrN4OS2
Molecular Weight305.18 g/mol
Exact Mass303.91
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H5BrN4OS2/c1-3-5(15-12-11-3)6(13)10-7-9-2-4(8)14-7/h2H,1H3,(H,9,10,13)
InChIKeyXKBIHEAAEJPIBX-UHFFFAOYSA-N
XLogP2.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide (CID 54860719) is N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is XKBIHEAAEJPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4OS2/c1-3-5(15-12-11-3)6(13)10-7-9-2-4(8)14-7/h2H,1H3,(H,9,10,13).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 54860719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).