2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate

C7H11N5O3S — CID 83215592

IUPAC2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
SMILESCNc1nnc(C(=O)NCCOC(N)=O)s1
InChIInChI=1S/C7H11N5O3S/c1-9-7-12-11-5(16-7)4(13)10-2-3-15-6(8)14/h2-3H2,1H3,(H2,8,14)(H,9,12)(H,10,13)
InChIKeyABYNIWHNWGGOGQ-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.60
Rot. Bonds5

About 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate

2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate (PubChem CID 83215592) has the molecular formula C7H11N5O3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
PubChem CID83215592
Molecular FormulaC7H11N5O3S
Molecular Weight245.26 g/mol
Exact Mass245.06
IUPAC Name2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
SMILESCNc1nnc(C(=O)NCCOC(N)=O)s1
InChIInChI=1S/C7H11N5O3S/c1-9-7-12-11-5(16-7)4(13)10-2-3-15-6(8)14/h2-3H2,1H3,(H2,8,14)(H,9,12)(H,10,13)
InChIKeyABYNIWHNWGGOGQ-UHFFFAOYSA-N
XLogP-0.60
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617458
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615607

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate?
The IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate (CID 83215592) is 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate is CNc1nnc(C(=O)NCCOC(N)=O)s1.
What is the InChIKey of 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate?
The InChIKey is ABYNIWHNWGGOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3S/c1-9-7-12-11-5(16-7)4(13)10-2-3-15-6(8)14/h2-3H2,1H3,(H2,8,14)(H,9,12)(H,10,13).
What are the key properties of 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate?
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate has a molecular weight of 245.26 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate is sourced from PubChem (CID 83215592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).