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

C15H13FN4OS2 — CID 134059873

IUPAC4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C15H13FN4OS2/c1-3-11-13(23-20-19-11)14(21)18-15-17-12(8(2)22-15)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,17,18,21)
InChIKeySTSLISHTDMKDOE-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.92
Rot. Bonds4

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

4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 134059873) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID134059873
Molecular FormulaC15H13FN4OS2
Molecular Weight348.43 g/mol
Exact Mass348.05
IUPAC Name4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C15H13FN4OS2/c1-3-11-13(23-20-19-11)14(21)18-15-17-12(8(2)22-15)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,17,18,21)
InChIKeySTSLISHTDMKDOE-UHFFFAOYSA-N
XLogP3.92
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 134059869
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 112811296
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
4-ethyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]thiadiazole-5-carboxamide
CID 30582501
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 28543180
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (CID 134059873) is 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1.
What is the InChIKey of 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is STSLISHTDMKDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c1-3-11-13(23-20-19-11)14(21)18-15-17-12(8(2)22-15)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,17,18,21).
What are the key properties of 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 134059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).