(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide

C9H15N5O2S2 — CID 9199588

IUPAC(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H15N5O2S2/c1-3-11-7(16)5(2)12-6(15)4-17-9-14-13-8(10)18-9/h5H,3-4H2,1-2H3,(H2,10,13)(H,11,16)(H,12,15)/t5-/m1/s1
InChIKeyZNHVAQGSZSJOMB-RXMQYKEDSA-N
MW289.39 g/mol
LogP-0.15
Rot. Bonds6

About (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide

(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide (PubChem CID 9199588) has the molecular formula C9H15N5O2S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide
PubChem CID9199588
Molecular FormulaC9H15N5O2S2
Molecular Weight289.39 g/mol
Exact Mass289.07
IUPAC Name(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H15N5O2S2/c1-3-11-7(16)5(2)12-6(15)4-17-9-14-13-8(10)18-9/h5H,3-4H2,1-2H3,(H2,10,13)(H,11,16)(H,12,15)/t5-/m1/s1
InChIKeyZNHVAQGSZSJOMB-RXMQYKEDSA-N
XLogP-0.15
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 628005
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-(2,2,2-trifluoroethyl)acetamide
CID 17393461
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide (CID 9199588) is (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide?
The InChIKey is ZNHVAQGSZSJOMB-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H15N5O2S2/c1-3-11-7(16)5(2)12-6(15)4-17-9-14-13-8(10)18-9/h5H,3-4H2,1-2H3,(H2,10,13)(H,11,16)(H,12,15)/t5-/m1/s1.
What are the key properties of (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide?
(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide has a molecular weight of 289.39 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 9199588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).