N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide

C8H10BrN3OS — CID 114315970

IUPACN-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(Br)C1CC1)c1csnn1
InChIInChI=1S/C8H10BrN3OS/c9-6(5-1-2-5)3-10-8(13)7-4-14-12-11-7/h4-6H,1-3H2,(H,10,13)
InChIKeyYNPYOWXCFYJVBB-UHFFFAOYSA-N
MW276.16 g/mol
LogP1.44
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide

N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide (PubChem CID 114315970) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
PubChem CID114315970
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC NameN-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(Br)C1CC1)c1csnn1
InChIInChI=1S/C8H10BrN3OS/c9-6(5-1-2-5)3-10-8(13)7-4-14-12-11-7/h4-6H,1-3H2,(H,10,13)
InChIKeyYNPYOWXCFYJVBB-UHFFFAOYSA-N
XLogP1.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
CID 107156631
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-4-carboxamide
CID 102914856
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 65214444
N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
CID 114315738
N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide
CID 106133046
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
N-(2-hydroxycyclopentyl)thiadiazole-4-carboxamide
CID 131165697
N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
CID 114315880
N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
CID 114315975
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
CID 114315834

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide (CID 114315970) is N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide is O=C(NCC(Br)C1CC1)c1csnn1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide?
The InChIKey is YNPYOWXCFYJVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c9-6(5-1-2-5)3-10-8(13)7-4-14-12-11-7/h4-6H,1-3H2,(H,10,13).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide?
N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 114315970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).