2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide

C12H14N4O2S2 — CID 46992494

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESNc1nnc(SCC(=O)NCC(O)c2ccccc2)s1
InChIInChI=1S/C12H14N4O2S2/c13-11-15-16-12(20-11)19-7-10(18)14-6-9(17)8-4-2-1-3-5-8/h1-5,9,17H,6-7H2,(H2,13,15)(H,14,18)
InChIKeyYDWICRLLBPHMNE-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.06
Rot. Bonds6

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide (PubChem CID 46992494) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide
PubChem CID46992494
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESNc1nnc(SCC(=O)NCC(O)c2ccccc2)s1
InChIInChI=1S/C12H14N4O2S2/c13-11-15-16-12(20-11)19-7-10(18)14-6-9(17)8-4-2-1-3-5-8/h1-5,9,17H,6-7H2,(H2,13,15)(H,14,18)
InChIKeyYDWICRLLBPHMNE-UHFFFAOYSA-N
XLogP1.06
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820074
1-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820075
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820077
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 93946347
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 93946348
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024662
1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024663
1-{[(5-Amino-1,3,4-thiadiazol-2-yl)thio]acetyl}-3-(2-methylphenyl)pyrrolidin-3-ol
CID 46996684
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 40163116
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 40163117
1-[2-(3-Chlorophenyl)-2-hydroxyethyl]-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 42960871
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(2-hydroxyphenyl)propyl]acetamide
CID 46991045

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide (CID 46992494) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide is Nc1nnc(SCC(=O)NCC(O)c2ccccc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide?
The InChIKey is YDWICRLLBPHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c13-11-15-16-12(20-11)19-7-10(18)14-6-9(17)8-4-2-1-3-5-8/h1-5,9,17H,6-7H2,(H2,13,15)(H,14,18).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide is sourced from PubChem (CID 46992494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).