4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide

C13H20ClN3OS — CID 114179382

IUPAC4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NC1CCCC1CCl
InChIInChI=1S/C13H20ClN3OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-9-6-4-5-8(9)7-14/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyYUMOQJKCZKZULA-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.97
Rot. Bonds3

About 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide

4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide (PubChem CID 114179382) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide
PubChem CID114179382
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NC1CCCC1CCl
InChIInChI=1S/C13H20ClN3OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-9-6-4-5-8(9)7-14/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyYUMOQJKCZKZULA-UHFFFAOYSA-N
XLogP2.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]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

Related Compounds

4-tert-butyl-N-[[2-(chloromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
CID 114307150
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]thiadiazole-5-carboxamide
CID 114303280
4-tert-butyl-N-[(2-chlorocyclohexyl)methyl]thiadiazole-5-carboxamide
CID 114301652
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234
4-tert-butyl-N-(3-chloropropyl)-N-cyclobutylthiadiazole-5-carboxamide
CID 102871890
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 66213272
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-tert-butylthiadiazole-5-carboxamide
CID 107868164

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide (CID 114179382) is 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NC1CCCC1CCl.
What is the InChIKey of 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide?
The InChIKey is YUMOQJKCZKZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-9-6-4-5-8(9)7-14/h8-9H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide?
4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide has a molecular weight of 301.84 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 114179382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).