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

C14H18N4OS2 — CID 30687916

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
SMILESCC[C@H](CNC(=O)CSc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C14H18N4OS2/c1-2-10(11-6-4-3-5-7-11)8-16-12(19)9-20-14-18-17-13(15)21-14/h3-7,10H,2,8-9H2,1H3,(H2,15,17)(H,16,19)/t10-/m1/s1
InChIKeyTXDWHEOWKNGXCV-SNVBAGLBSA-N
MW322.46 g/mol
LogP2.52
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide (PubChem CID 30687916) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
PubChem CID30687916
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
SMILESCC[C@H](CNC(=O)CSc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C14H18N4OS2/c1-2-10(11-6-4-3-5-7-11)8-16-12(19)9-20-14-18-17-13(15)21-14/h3-7,10H,2,8-9H2,1H3,(H2,15,17)(H,16,19)/t10-/m1/s1
InChIKeyTXDWHEOWKNGXCV-SNVBAGLBSA-N
XLogP2.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide
CID 46990636
methyl (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-phenylacetate
CID 7321600
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
2-phenylbutylurea
CID 137320233
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 134038099
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8632074
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77089289
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 16595927
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
CID 134008249
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2488997
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide (CID 30687916) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide is CC[C@H](CNC(=O)CSc1nnc(N)s1)c1ccccc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide?
The InChIKey is TXDWHEOWKNGXCV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-2-10(11-6-4-3-5-7-11)8-16-12(19)9-20-14-18-17-13(15)21-14/h3-7,10H,2,8-9H2,1H3,(H2,15,17)(H,16,19)/t10-/m1/s1.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide has a molecular weight of 322.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide is sourced from PubChem (CID 30687916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).