4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide

C9H10N4OS2 — CID 39966233

IUPAC4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C9H10N4OS2/c1-3-6-7(16-13-12-6)8(14)11-9-10-5(2)4-15-9/h4H,3H2,1-2H3,(H,10,11,14)
InChIKeyKXVUHLOJZVTLKE-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.12
Rot. Bonds3

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

4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 39966233) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
PubChem CID39966233
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C9H10N4OS2/c1-3-6-7(16-13-12-6)8(14)11-9-10-5(2)4-15-9/h4H,3H2,1-2H3,(H,10,11,14)
InChIKeyKXVUHLOJZVTLKE-UHFFFAOYSA-N
XLogP2.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide (CID 39966233) is 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc(C)cs1.
What is the InChIKey of 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The InChIKey is KXVUHLOJZVTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c1-3-6-7(16-13-12-6)8(14)11-9-10-5(2)4-15-9/h4H,3H2,1-2H3,(H,10,11,14).
What are the key properties of 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 254.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 39966233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).