5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide

C12H16N4OS2 — CID 80624243

IUPAC5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCC(C)(C)c2cccs2)s1
InChIInChI=1S/C12H16N4OS2/c1-12(2,8-5-4-6-18-8)7-14-9(17)10-15-16-11(13-3)19-10/h4-6H,7H2,1-3H3,(H,13,16)(H,14,17)
InChIKeySXGFMKIMVCAIJI-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.35
Rot. Bonds5

About 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80624243) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80624243
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCC(C)(C)c2cccs2)s1
InChIInChI=1S/C12H16N4OS2/c1-12(2,8-5-4-6-18-8)7-14-9(17)10-15-16-11(13-3)19-10/h4-6H,7H2,1-3H3,(H,13,16)(H,14,17)
InChIKeySXGFMKIMVCAIJI-UHFFFAOYSA-N
XLogP2.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-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

5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 78962266
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 81245260
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridazine-3-carboxamide
CID 80527740
3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 105386960
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 80527456
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104742615
6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 80524375
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide (CID 80624243) is 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCC(C)(C)c2cccs2)s1.
What is the InChIKey of 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SXGFMKIMVCAIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-12(2,8-5-4-6-18-8)7-14-9(17)10-15-16-11(13-3)19-10/h4-6H,7H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80624243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).