N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide

C8H12BrN3OS — CID 80660951

IUPACN-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
SMILESCCN(CCBr)C(=O)c1snnc1C
InChIInChI=1S/C8H12BrN3OS/c1-3-12(5-4-9)8(13)7-6(2)10-11-14-7/h3-5H2,1-2H3
InChIKeyIMXAOUVVKCHVHY-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.70
Rot. Bonds4

About N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide

N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide (PubChem CID 80660951) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
PubChem CID80660951
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC NameN-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
SMILESCCN(CCBr)C(=O)c1snnc1C
InChIInChI=1S/C8H12BrN3OS/c1-3-12(5-4-9)8(13)7-6(2)10-11-14-7/h3-5H2,1-2H3
InChIKeyIMXAOUVVKCHVHY-UHFFFAOYSA-N
XLogP1.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.70
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,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
4-[(4-Methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazinecarbaldehyde
CID 7293413
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 126789307
1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)-4-(propan-2-YL)piperazine
CID 53016991
(4-Methylthiadiazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 49718424
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 107491301
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethylthiadiazole-5-carboxamide
CID 107491727
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 107491828
N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492210
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492592
N-(2-bromoethyl)-4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 113966062

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide (CID 80660951) is N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide is CCN(CCBr)C(=O)c1snnc1C.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide?
The InChIKey is IMXAOUVVKCHVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c1-3-12(5-4-9)8(13)7-6(2)10-11-14-7/h3-5H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide?
N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide has a molecular weight of 278.18 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 80660951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).