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

C7H11N5O2S2 — CID 9379533

IUPACN-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCNc1nnc(SCC(=O)NC(N)=O)s1
InChIInChI=1S/C7H11N5O2S2/c1-2-9-6-11-12-7(16-6)15-3-4(13)10-5(8)14/h2-3H2,1H3,(H,9,11)(H3,8,10,13,14)
InChIKeyCSNNUIGIMVBVSE-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.26
Rot. Bonds5

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

N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 9379533) has the molecular formula C7H11N5O2S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID9379533
Molecular FormulaC7H11N5O2S2
Molecular Weight261.33 g/mol
Exact Mass261.04
IUPAC NameN-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCNc1nnc(SCC(=O)NC(N)=O)s1
InChIInChI=1S/C7H11N5O2S2/c1-2-9-6-11-12-7(16-6)15-3-4(13)10-5(8)14/h2-3H2,1H3,(H,9,11)(H3,8,10,13,14)
InChIKeyCSNNUIGIMVBVSE-UHFFFAOYSA-N
XLogP0.26
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 110186338
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 27987763
N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide
CID 27987268
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
N-[(2,3-dimethylphenyl)carbamoyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9475779
2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 9379612
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18101267
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27987112
N-(2,5-difluorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51236767
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 27987722
N-carbamoyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5223377

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 9379533) is N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCNc1nnc(SCC(=O)NC(N)=O)s1.
What is the InChIKey of N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CSNNUIGIMVBVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2S2/c1-2-9-6-11-12-7(16-6)15-3-4(13)10-5(8)14/h2-3H2,1H3,(H,9,11)(H3,8,10,13,14).
What are the key properties of N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 261.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 9379533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).