2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C14H12N4OS2 — CID 29370077

IUPAC2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3nncs3)cs2)c1
InChIInChI=1S/C14H12N4OS2/c1-9-3-2-4-10(5-9)13-16-11(7-20-13)6-12(19)17-14-18-15-8-21-14/h2-5,7-8H,6H2,1H3,(H,17,18,19)
InChIKeyYULVEGGRXFIZAH-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.15
Rot. Bonds4

About 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 29370077) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID29370077
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3nncs3)cs2)c1
InChIInChI=1S/C14H12N4OS2/c1-9-3-2-4-10(5-9)13-16-11(7-20-13)6-12(19)17-14-18-15-8-21-14/h2-5,7-8H,6H2,1H3,(H,17,18,19)
InChIKeyYULVEGGRXFIZAH-UHFFFAOYSA-N
XLogP3.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17449852
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N-(1,3,4-thiadiazol-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 29370112
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16564281
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 29370077) is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cccc(-c2nc(CC(=O)Nc3nncs3)cs2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YULVEGGRXFIZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c1-9-3-2-4-10(5-9)13-16-11(7-20-13)6-12(19)17-14-18-15-8-21-14/h2-5,7-8H,6H2,1H3,(H,17,18,19).
What are the key properties of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 29370077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).