2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

C12H16N4OS2 — CID 49320546

IUPAC2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1
InChIInChI=1S/C12H16N4OS2/c1-5-8-13-7(4)9(18-8)10(17)14-12-16-15-11(19-12)6(2)3/h6H,5H2,1-4H3,(H,14,16,17)
InChIKeyXGVWIYUYYQGYCF-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.24
Rot. Bonds4

About 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 49320546) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID49320546
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1
InChIInChI=1S/C12H16N4OS2/c1-5-8-13-7(4)9(18-8)10(17)14-12-16-15-11(19-12)6(2)3/h6H,5H2,1-4H3,(H,14,16,17)
InChIKeyXGVWIYUYYQGYCF-UHFFFAOYSA-N
XLogP3.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 49320546) is 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XGVWIYUYYQGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-5-8-13-7(4)9(18-8)10(17)14-12-16-15-11(19-12)6(2)3/h6H,5H2,1-4H3,(H,14,16,17).
What are the key properties of 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49320546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).