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

C16H16N4OS2 — CID 122286575

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H16N4OS2/c1-3-4-13-15(23-20-19-13)16(21)18-12-7-5-11(6-8-12)14-9-22-10(2)17-14/h5-9H,3-4H2,1-2H3,(H,18,21)
InChIKeyHMBNKISEAPWKQI-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.17
Rot. Bonds5

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 122286575) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide
PubChem CID122286575
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H16N4OS2/c1-3-4-13-15(23-20-19-13)16(21)18-12-7-5-11(6-8-12)14-9-22-10(2)17-14/h5-9H,3-4H2,1-2H3,(H,18,21)
InChIKeyHMBNKISEAPWKQI-UHFFFAOYSA-N
XLogP4.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide (CID 122286575) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is HMBNKISEAPWKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-3-4-13-15(23-20-19-13)16(21)18-12-7-5-11(6-8-12)14-9-22-10(2)17-14/h5-9H,3-4H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 122286575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).