(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

C8H9Br2N3OS — CID 7028535

IUPAC(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1nnc(NC(=O)[C@@]2(C)CC2(Br)Br)s1
InChIInChI=1S/C8H9Br2N3OS/c1-4-12-13-6(15-4)11-5(14)7(2)3-8(7,9)10/h3H2,1-2H3,(H,11,13,14)/t7-/m1/s1
InChIKeyURNXREVWOAMTDN-SSDOTTSWSA-N
MW355.06 g/mol
LogP2.68
Rot. Bonds2

About (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 7028535) has the molecular formula C8H9Br2N3OS and a molecular weight of 355.06 g/mol. Its IUPAC name is (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID7028535
Molecular FormulaC8H9Br2N3OS
Molecular Weight355.06 g/mol
Exact Mass352.88
IUPAC Name(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1nnc(NC(=O)[C@@]2(C)CC2(Br)Br)s1
InChIInChI=1S/C8H9Br2N3OS/c1-4-12-13-6(15-4)11-5(14)7(2)3-8(7,9)10/h3H2,1-2H3,(H,11,13,14)/t7-/m1/s1
InChIKeyURNXREVWOAMTDN-SSDOTTSWSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.06
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 7028535) is (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is Cc1nnc(NC(=O)[C@@]2(C)CC2(Br)Br)s1.
What is the InChIKey of (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is URNXREVWOAMTDN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9Br2N3OS/c1-4-12-13-6(15-4)11-5(14)7(2)3-8(7,9)10/h3H2,1-2H3,(H,11,13,14)/t7-/m1/s1.
What are the key properties of (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 355.06 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7028535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).