N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C14H11FN4OS2 — CID 56789009

IUPACN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cs1
InChIInChI=1S/C14H11FN4OS2/c1-8-16-11(7-21-8)6-12(20)17-14-18-13(19-22-14)9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,17,18,19,20)
InChIKeyDQNIEJNBHPLMOM-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.29
Rot. Bonds4

About N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 56789009) has the molecular formula C14H11FN4OS2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID56789009
Molecular FormulaC14H11FN4OS2
Molecular Weight334.40 g/mol
Exact Mass334.04
IUPAC NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cs1
InChIInChI=1S/C14H11FN4OS2/c1-8-16-11(7-21-8)6-12(20)17-14-18-13(19-22-14)9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,17,18,19,20)
InChIKeyDQNIEJNBHPLMOM-UHFFFAOYSA-N
XLogP3.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56827462
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455186
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 86942115
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 25284488
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4852253
3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 86942122
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283431

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 56789009) is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cs1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DQNIEJNBHPLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS2/c1-8-16-11(7-21-8)6-12(20)17-14-18-13(19-22-14)9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,17,18,19,20).
What are the key properties of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56789009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).