5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide

C9H16N4O3S — CID 80615129

IUPAC5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCO)CCO)s1
InChIInChI=1S/C9H16N4O3S/c1-2-10-9-12-11-7(17-9)8(16)13(3-5-14)4-6-15/h14-15H,2-6H2,1H3,(H,10,12)
InChIKeySWKDIMUIJDYXFS-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.60
Rot. Bonds7

About 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615129) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615129
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCO)CCO)s1
InChIInChI=1S/C9H16N4O3S/c1-2-10-9-12-11-7(17-9)8(16)13(3-5-14)4-6-15/h14-15H,2-6H2,1H3,(H,10,12)
InChIKeySWKDIMUIJDYXFS-UHFFFAOYSA-N
XLogP-0.60
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615129) is 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CCO)CCO)s1.
What is the InChIKey of 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SWKDIMUIJDYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-2-10-9-12-11-7(17-9)8(16)13(3-5-14)4-6-15/h14-15H,2-6H2,1H3,(H,10,12).
What are the key properties of 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 260.32 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).