5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole

C10H14BrNS — CID 112645374

IUPAC5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole
SMILESCC(CBr)(Cc1cncs1)C1CC1
InChIInChI=1S/C10H14BrNS/c1-10(6-11,8-2-3-8)4-9-5-12-7-13-9/h5,7-8H,2-4,6H2,1H3
InChIKeyVVKHYYCBZGUAJL-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.50
Rot. Bonds4

About 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole

5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole (PubChem CID 112645374) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole
PubChem CID112645374
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole
SMILESCC(CBr)(Cc1cncs1)C1CC1
InChIInChI=1S/C10H14BrNS/c1-10(6-11,8-2-3-8)4-9-5-12-7-13-9/h5,7-8H,2-4,6H2,1H3
InChIKeyVVKHYYCBZGUAJL-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
CID 112643810
3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
CID 114900382
5-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-1,3-thiazole
CID 112645432
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112644052
4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carbonitrile
CID 112645121
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
CID 83151174
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112645209
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642005
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-(trifluoromethyl)benzene
CID 83150074

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole (CID 112645374) is 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole is CC(CBr)(Cc1cncs1)C1CC1.
What is the InChIKey of 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole?
The InChIKey is VVKHYYCBZGUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-10(6-11,8-2-3-8)4-9-5-12-7-13-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole?
5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole has a molecular weight of 260.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 112645374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).