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

C16H16N4OS2 — CID 134059869

IUPAC4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C16H16N4OS2/c1-4-12-14(23-20-19-12)15(21)18-16-17-13(10(3)22-16)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,17,18,21)
InChIKeyHGKIAYYRYOXDRU-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.09
Rot. Bonds4

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

4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 134059869) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID134059869
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C16H16N4OS2/c1-4-12-14(23-20-19-12)15(21)18-16-17-13(10(3)22-16)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,17,18,21)
InChIKeyHGKIAYYRYOXDRU-UHFFFAOYSA-N
XLogP4.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 134059873
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 112811296
4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 999172
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119681505
2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1147007
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 107301174
4-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 35936393

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (CID 134059869) is 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.
What is the InChIKey of 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is HGKIAYYRYOXDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-4-12-14(23-20-19-12)15(21)18-16-17-13(10(3)22-16)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,17,18,21).
What are the key properties of 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 134059869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).