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

C15H13FN4OS2 — CID 90147791

IUPACN-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc(C)c(-c2cccc(CF)c2)s1
InChIInChI=1S/C15H13FN4OS2/c1-8-12(11-5-3-4-10(6-11)7-16)22-15(17-8)18-14(21)13-9(2)19-20-23-13/h3-6H,7H2,1-2H3,(H,17,18,21)
InChIKeyHJWPWQAJYTVKBS-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.00
Rot. Bonds4

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

N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 90147791) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID90147791
Molecular FormulaC15H13FN4OS2
Molecular Weight348.43 g/mol
Exact Mass348.05
IUPAC NameN-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc(C)c(-c2cccc(CF)c2)s1
InChIInChI=1S/C15H13FN4OS2/c1-8-12(11-5-3-4-10(6-11)7-16)22-15(17-8)18-14(21)13-9(2)19-20-23-13/h3-6H,7H2,1-2H3,(H,17,18,21)
InChIKeyHJWPWQAJYTVKBS-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide (CID 90147791) is N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1nc(C)c(-c2cccc(CF)c2)s1.
What is the InChIKey of N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is HJWPWQAJYTVKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c1-8-12(11-5-3-4-10(6-11)7-16)22-15(17-8)18-14(21)13-9(2)19-20-23-13/h3-6H,7H2,1-2H3,(H,17,18,21).
What are the key properties of N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(fluoromethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 90147791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).