N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide

C10H14ClN3OS — CID 114301139

IUPACN-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCC1Cl
InChIInChI=1S/C10H14ClN3OS/c1-6-9(16-14-13-6)10(15)12-8-5-3-2-4-7(8)11/h7-8H,2-5H2,1H3,(H,12,15)
InChIKeyBVGOBEFUZYJQFA-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.13
Rot. Bonds2

About N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide

N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 114301139) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
PubChem CID114301139
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC NameN-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCC1Cl
InChIInChI=1S/C10H14ClN3OS/c1-6-9(16-14-13-6)10(15)12-8-5-3-2-4-7(8)11/h7-8H,2-5H2,1H3,(H,12,15)
InChIKeyBVGOBEFUZYJQFA-UHFFFAOYSA-N
XLogP2.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chlorocyclohexyl)-4-methylthiadiazole-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

N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
CID 63258149
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79685772
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
CID 3876536
N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide
CID 114179382
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide (CID 114301139) is N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is BVGOBEFUZYJQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-6-9(16-14-13-6)10(15)12-8-5-3-2-4-7(8)11/h7-8H,2-5H2,1H3,(H,12,15).
What are the key properties of N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide?
N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 114301139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).