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

C15H18FN5O2S2 — CID 18101355

IUPAC2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCC(C)(C)Nc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C15H18FN5O2S2/c1-15(2,3)19-13-20-21-14(25-13)24-8-11(22)18-12(23)17-10-7-5-4-6-9(10)16/h4-7H,8H2,1-3H3,(H,19,20)(H2,17,18,22,23)
InChIKeyYUMZKZQFXPNXDM-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.33
Rot. Bonds5

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

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 18101355) has the molecular formula C15H18FN5O2S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID18101355
Molecular FormulaC15H18FN5O2S2
Molecular Weight383.47 g/mol
Exact Mass383.09
IUPAC Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCC(C)(C)Nc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C15H18FN5O2S2/c1-15(2,3)19-13-20-21-14(25-13)24-8-11(22)18-12(23)17-10-7-5-4-6-9(10)16/h4-7H,8H2,1-3H3,(H,19,20)(H2,17,18,22,23)
InChIKeyYUMZKZQFXPNXDM-UHFFFAOYSA-N
XLogP3.33
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-carbamoyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5223377
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2608160
N-[(2,3-dimethylphenyl)carbamoyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9475779
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,5-dimethylbenzamide
CID 3524634
N-(tert-butylcarbamoyl)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2652371
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 18101310
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)acetamide
CID 18101345
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18101267
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 3964511
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 3220492
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
CID 4150286
methyl 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2083644

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 18101355) is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide is CC(C)(C)Nc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)s1.
What is the InChIKey of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is YUMZKZQFXPNXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2S2/c1-15(2,3)19-13-20-21-14(25-13)24-8-11(22)18-12(23)17-10-7-5-4-6-9(10)16/h4-7H,8H2,1-3H3,(H,19,20)(H2,17,18,22,23).
What are the key properties of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 18101355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).