2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C17H23FN4OS2 — CID 18101359

IUPAC2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CSc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C17H23FN4OS2/c1-5-22(10-12-7-6-8-13(18)9-12)14(23)11-24-16-21-20-15(25-16)19-17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyOYESLRHWSRYWRR-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.03
Rot. Bonds7

About 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 18101359) has the molecular formula C17H23FN4OS2 and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID18101359
Molecular FormulaC17H23FN4OS2
Molecular Weight382.53 g/mol
Exact Mass382.13
IUPAC Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CSc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C17H23FN4OS2/c1-5-22(10-12-7-6-8-13(18)9-12)14(23)11-24-16-21-20-15(25-16)19-17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyOYESLRHWSRYWRR-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41457888
N,N-diethyl-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17451366
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 34794483
N-benzyl-N-ethyl-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8874060
N-benzyl-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18194116
2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 7883378
N-benzyl-N-ethyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23932987
ethyl 2-[[5-[[2-(3-fluorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 36582208
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 37063618
N,N-diethyl-2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7385234
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60563776
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 27953629

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 18101359) is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(NC(C)(C)C)s1.
What is the InChIKey of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is OYESLRHWSRYWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4OS2/c1-5-22(10-12-7-6-8-13(18)9-12)14(23)11-24-16-21-20-15(25-16)19-17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 18101359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).