5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

C10H16N4OS2 — CID 107298229

IUPAC5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CCSC2)s1
InChIInChI=1S/C10H16N4OS2/c1-2-11-10-14-13-9(17-10)8(15)12-5-7-3-4-16-6-7/h7H,2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyBIGOMOJJGXAVLP-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.45
Rot. Bonds5

About 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107298229) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107298229
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CCSC2)s1
InChIInChI=1S/C10H16N4OS2/c1-2-11-10-14-13-9(17-10)8(15)12-5-7-3-4-16-6-7/h7H,2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyBIGOMOJJGXAVLP-UHFFFAOYSA-N
XLogP1.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(ethylamino)-N-(thiolan-3-ylmethyl)-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

Related Compounds

N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624606
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616088
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
5-(propylamino)-N-(thiolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624337
5-chloro-N-(thietan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 164661256
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 107298229) is 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC2CCSC2)s1.
What is the InChIKey of 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BIGOMOJJGXAVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-2-11-10-14-13-9(17-10)8(15)12-5-7-3-4-16-6-7/h7H,2-6H2,1H3,(H,11,14)(H,12,15).
What are the key properties of 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 272.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107298229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).