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

C8H8Br2N2OS — CID 592926

IUPAC2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nccs2)CC1(Br)Br
InChIInChI=1S/C8H8Br2N2OS/c1-7(4-8(7,9)10)5(13)12-6-11-2-3-14-6/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyCGGHLWWJPVHAPW-UHFFFAOYSA-N
MW340.04 g/mol
LogP2.98
Rot. Bonds2

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

2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 592926) has the molecular formula C8H8Br2N2OS and a molecular weight of 340.04 g/mol. Its IUPAC name is 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID592926
Molecular FormulaC8H8Br2N2OS
Molecular Weight340.04 g/mol
Exact Mass337.87
IUPAC Name2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nccs2)CC1(Br)Br
InChIInChI=1S/C8H8Br2N2OS/c1-7(4-8(7,9)10)5(13)12-6-11-2-3-14-6/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyCGGHLWWJPVHAPW-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.04
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
CID 658974
2-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 3140495
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 11173072
2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 4069823
2,2,3,3-tetramethyl-N-1,3-thiazol-2-ylcyclopropanecarboxamide
CID 722480
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
N-(2-thiazolyl)cyclopropanecarboxamide
CID 923384
N-(1,3-thiazol-2-yl)pentanamide
CID 4035581
N-(1,3-thiazol-2-yl)butanamide
CID 3621821
(1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 7028532

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 592926) is 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is CC1(C(=O)Nc2nccs2)CC1(Br)Br.
What is the InChIKey of 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is CGGHLWWJPVHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2OS/c1-7(4-8(7,9)10)5(13)12-6-11-2-3-14-6/h2-3H,4H2,1H3,(H,11,12,13).
What are the key properties of 2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2,2-dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 340.04 g/mol, XLogP of 2.98, 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-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 592926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).