2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C9H10Br2N2OS — CID 4069823

IUPAC2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)CC2(Br)Br)s1
InChIInChI=1S/C9H10Br2N2OS/c1-5-3-12-7(15-5)13-6(14)8(2)4-9(8,10)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeySWDICLCLRKSTEJ-UHFFFAOYSA-N
MW354.07 g/mol
LogP3.29
Rot. Bonds2

About 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 4069823) has the molecular formula C9H10Br2N2OS and a molecular weight of 354.07 g/mol. Its IUPAC name is 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID4069823
Molecular FormulaC9H10Br2N2OS
Molecular Weight354.07 g/mol
Exact Mass351.89
IUPAC Name2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)CC2(Br)Br)s1
InChIInChI=1S/C9H10Br2N2OS/c1-5-3-12-7(15-5)13-6(14)8(2)4-9(8,10)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeySWDICLCLRKSTEJ-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.07
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 4069823) is 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is Cc1cnc(NC(=O)C2(C)CC2(Br)Br)s1.
What is the InChIKey of 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is SWDICLCLRKSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2OS/c1-5-3-12-7(15-5)13-6(14)8(2)4-9(8,10)11/h3H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 354.07 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 4069823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).