N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide

C7H10BrN3OS — CID 106441440

IUPACN-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CCCBr)C(=O)c1cnns1
InChIInChI=1S/C7H10BrN3OS/c1-11(4-2-3-8)7(12)6-5-9-10-13-6/h5H,2-4H2,1H3
InChIKeyCSIFOGHETRWWBW-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.40
Rot. Bonds4

About N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide

N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 106441440) has the molecular formula C7H10BrN3OS and a molecular weight of 264.15 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide
PubChem CID106441440
Molecular FormulaC7H10BrN3OS
Molecular Weight264.15 g/mol
Exact Mass262.97
IUPAC NameN-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CCCBr)C(=O)c1cnns1
InChIInChI=1S/C7H10BrN3OS/c1-11(4-2-3-8)7(12)6-5-9-10-13-6/h5H,2-4H2,1H3
InChIKeyCSIFOGHETRWWBW-UHFFFAOYSA-N
XLogP1.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylthiadiazole-5-carboxamide
CID 127017419
N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79383991
N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 106441483
N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79652392
N-(3-bromopropyl)-N,4-dimethylthiadiazole-5-carboxamide
CID 106441212
N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide
CID 115765125
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
N-(3-bromopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 106441431
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
thiadiazole-5-carboxylic acid;hydrochloride
CID 70551277

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide (CID 106441440) is N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide is CN(CCCBr)C(=O)c1cnns1.
What is the InChIKey of N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is CSIFOGHETRWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c1-11(4-2-3-8)7(12)6-5-9-10-13-6/h5H,2-4H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide?
N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 264.15 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 106441440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).