N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide

C10H16BrN3OS — CID 114311643

IUPACN-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C10H16BrN3OS/c1-6(2)4-8(5-11)12-10(15)9-7(3)13-14-16-9/h6,8H,4-5H2,1-3H3,(H,12,15)
InChIKeyFCZSDKCSODMPGV-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.39
Rot. Bonds5

About N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 114311643) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID114311643
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C10H16BrN3OS/c1-6(2)4-8(5-11)12-10(15)9-7(3)13-14-16-9/h6,8H,4-5H2,1-3H3,(H,12,15)
InChIKeyFCZSDKCSODMPGV-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-bromo-4-methylpentan-2-yl)-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-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
N-(3-bromobutyl)-4-methylthiadiazole-5-carboxamide
CID 114312469
N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 106183126
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
2-bromo-1-(4-methylthiadiazol-5-yl)ethanone;hydrobromide
CID 23003557
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
CID 9089953
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide (CID 114311643) is N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(CBr)CC(C)C.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is FCZSDKCSODMPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-6(2)4-8(5-11)12-10(15)9-7(3)13-14-16-9/h6,8H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 114311643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).