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

C15H14N4OS2 — CID 24668930

IUPAC4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4OS2/c1-2-12-13(22-19-18-12)14(20)16-8-11-9-21-15(17-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,20)
InChIKeyBFRKKSBUEGEUMY-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.15
Rot. Bonds5

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

4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 24668930) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID24668930
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4OS2/c1-2-12-13(22-19-18-12)14(20)16-8-11-9-21-15(17-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,20)
InChIKeyBFRKKSBUEGEUMY-UHFFFAOYSA-N
XLogP3.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
CID 37156613
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate
CID 8535499
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 143717062
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 24668930) is 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is BFRKKSBUEGEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-2-12-13(22-19-18-12)14(20)16-8-11-9-21-15(17-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,20).
What are the key properties of 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 24668930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).