4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide

C14H24N4OS — CID 136587878

IUPAC4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)c1snnc1C1CC1
InChIInChI=1S/C14H24N4OS/c1-9(2)7-11(8-18(3)4)15-14(19)13-12(10-5-6-10)16-17-20-13/h9-11H,5-8H2,1-4H3,(H,15,19)/t11-/m0/s1
InChIKeyCNPWHPDABYMUHN-NSHDSACASA-N
MW296.44 g/mol
LogP2.12
Rot. Bonds7

About 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide

4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide (PubChem CID 136587878) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
PubChem CID136587878
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)c1snnc1C1CC1
InChIInChI=1S/C14H24N4OS/c1-9(2)7-11(8-18(3)4)15-14(19)13-12(10-5-6-10)16-17-20-13/h9-11H,5-8H2,1-4H3,(H,15,19)/t11-/m0/s1
InChIKeyCNPWHPDABYMUHN-NSHDSACASA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-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 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide (CID 136587878) is 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide is CC(C)C[C@@H](CN(C)C)NC(=O)c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is CNPWHPDABYMUHN-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)7-11(8-18(3)4)15-14(19)13-12(10-5-6-10)16-17-20-13/h9-11H,5-8H2,1-4H3,(H,15,19)/t11-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide?
4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 136587878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).