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

C8H14N4O3S — CID 80615130

IUPACN,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)CCO)s1
InChIInChI=1S/C8H14N4O3S/c1-9-8-11-10-6(16-8)7(15)12(2-4-13)3-5-14/h13-14H,2-5H2,1H3,(H,9,11)
InChIKeyKAABSLIAGBSBHP-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.99
Rot. Bonds6

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

N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615130) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615130
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)CCO)s1
InChIInChI=1S/C8H14N4O3S/c1-9-8-11-10-6(16-8)7(15)12(2-4-13)3-5-14/h13-14H,2-5H2,1H3,(H,9,11)
InChIKeyKAABSLIAGBSBHP-UHFFFAOYSA-N
XLogP-0.99
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N,N-bis(2-hydroxyethyl)-5-(methylamino)-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 N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615130) is N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(CCO)CCO)s1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KAABSLIAGBSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-9-8-11-10-6(16-8)7(15)12(2-4-13)3-5-14/h13-14H,2-5H2,1H3,(H,9,11).
What are the key properties of N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).